1,4-Bis(5-phenyl-2-oxazolyl)benzene(POPOP) - ≥98% , CAS No.1806-34-4

CAS: 1806-34-4 Cat. No.: B113298 Molecular Weight: 364.40 Beilstein Registry Number: 325741 EC Number: 217-304-6

GRADE & PURITY ≥98%

Synonyms

POPOP | 1,4-Bis(2-(5-phenyloxazolyl))benzene | D95270 | MFCD00005309 | POPOP | 5-phenyl-2-(4-(5-phenyl-1,3-oxazol-2-yl)phenyl)-1,3-oxazole | 2,2'-(1,4-PHENYLENE)BIS(5-PHENYLOXAZOLE) | AKOS001483318 | Oxazole, 2,2'-(1,4-phenylene)bis(5-phenyl- | 1,4-Bis(5-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

POPOP | 1, 4-Bis(2-(5-phenyloxazolyl))benzene | D95270 | MFCD00005309 | POPOP | 5-phenyl-2-(4-(5-phenyl-1, 3-oxazol-2-yl)phenyl)-1, 3-oxazole | 2, 2'-(1, 4-PHENYLENE)BIS(5-PHENYLOXAZOLE) | AKOS001483318 | Oxazole, 2, 2'-(1, 4-phenylene)bis(5-phenyl- | 1, 4-Bis(5-

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=C(C=C3)C4=NC=C(O4)C5=CC=CC=C5
• IUPAC Name: 5-phenyl-2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]-1,3-oxazole
• InChIKey: MASVCBBIUQRUKL-UHFFFAOYSA-N
• INCHI: 1S/C24H16N2O2/c1-3-7-17(8-4-1)21-15-25-23(27-21)19-11-13-20(14-12-19)24-26-16-22(28-24)18-9-5-2-6-10-18/h1-16H
• Isomeric SMILES: C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=C(C=C3)C4=NC=C(O4)C5=CC=CC=C5
• WGK Germany: 2
• Molecular Weight: 364.40
• Beilstein: 325741
• Reaxy-Rn: 325741
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=325741&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Oxazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Oxazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenyl-1,3-oxazoles
• Alternative Parents: 2,5-disubstituted oxazoles Benzene and substituted derivatives Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenyl-1,3-oxazole - 2,5-disubstituted 1,3-oxazole - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenyl-1,3-oxazoles. These are aromatic heterocyclic compounds containing a 1,3-oxazole substituted at one or more positions by a phenyl group.
• External Descriptors: 1,3-oxazoles

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

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CASP1 Tchem Caspase-1 (6235 Activities)

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ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

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CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

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CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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A498 (42825 Activities)

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ACHN (49357 Activities)

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CCRF-CEM (65223 Activities)

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COLO 205 (50209 Activities)

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DU-145 (51482 Activities)

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HL-60 (67320 Activities)

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HT-29 (80576 Activities)

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K562 (73714 Activities)

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KM12 (47707 Activities)

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M14 (47487 Activities)

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MCF7 (126967 Activities)

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MOLT-4 (49676 Activities)

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OVCAR-3 (48710 Activities)

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OVCAR-4 (44535 Activities)

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OVCAR-5 (45555 Activities)

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OVCAR-8 (47708 Activities)

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PC-3 (62116 Activities)

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RPMI-8226 (44974 Activities)

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RXF 393 (41971 Activities)

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SF-295 (48000 Activities)

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SK-MEL-28 (48833 Activities)

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SK-MEL-5 (47095 Activities)

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SK-OV-3 (52876 Activities)

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SN12C (47755 Activities)

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SNB-19 (46794 Activities)

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TK-10 (45540 Activities)

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U-251 (51189 Activities)

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UACC-257 (46019 Activities)

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UACC-62 (47335 Activities)

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UO-31 (46270 Activities)

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786-0 (47912 Activities)

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A549 (127892 Activities)

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NCI/ADR-RES (33767 Activities)

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T47D (39041 Activities)

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EKVX (44102 Activities)

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NCI-H322M (45589 Activities)

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HCC 2998 (41480 Activities)

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HCT-116 (91556 Activities)

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HOP-92 (41141 Activities)

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Hs-578T (29457 Activities)

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NCI-H460 (60772 Activities)

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SF-268 (49410 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility in hot Toluene
• Melt Point(°C): 242-246°C
• Molecular Weight: 364.400 g/mol
• XLogP3: 6.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 364.121 Da
• Monoisotopic Mass: 364.121 Da
• Topological Polar Surface Area: 52.100 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 437.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Yiyao Cao, Yuxin Qian, Hong Ren, Liangliang Yin, Yuhan Xie, Yanqin Ji.  (2023)  Determination of carbon-14 in marine biota using oxidation combustion and gel suspension liquid scintillation counting.  FOOD CHEMISTRY,      [PMID:37956594] [10.1016/j.foodchem.2023.137914]

2. Mingzhu Hu, Yumeng Wang, Shengpeng Hu, Zongpeng Wang, Bi Du, Yanjun Peng, Jiawei Yang, Yunjie Shi, Dongdong Chen, Xi Chen, Ziwen Zhuang, Zhixun Wang, Xi Chen, Jiecheng Yang, Yongshuai Ge, Eyu Wang, Quan Wen, Shuang Xiao, Ming Ma, Weimin Li, Jie Zhang, De Ning, Lei Wei, Chunlei Yang, Ming Chen.  (2023)  A pixelated liquid perovskite array for high-sensitivity and high-resolution X-ray imaging scintillation screens.  Nanoscale,  15  (38): (15635-15642).  [PMID:37721742] [10.1039/D3NR02841K]

3. Hu Yichen, Ma Jiaju, Liu Tonghuan, Zhang Yongjie, Yu Yuhong, Sun Zhiyu, Fang Fang, Dong Tianhao, Zhao Yanhong, Zhou Gen.  (2023)  Preparation and characterization of plastic scintillators with different proportions.  JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY,  332  (4): (1047-1054).  [PMID:] [10.1007/s10967-022-08748-6]

4. Xingyan Pang, Jiaoyang Li, Pengfei Xu, Wenjun Yang, Lei Huang, Sufen Zhang, Zhiyang Yu, Qingfu Ye.  (2022)  Environmental fate and metabolism of the systemic triazolinthione fungicide prothioconazole in different aerobic soils.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:37055988] [10.1016/j.jhazmat.2022.130583]

5. Yumeng Wang, Beiping Liu, Yingming Liu, Xi Chen, Xi Chen, Quan Wen, Eyu Wang, Bi Du, Han Zheng, Guo-Hua Zhong, Chunlei Yang, Ming Chen.  (2025)  High-Performance and Stable b-PBD/Perovskite Liquid Scintillators for X-ray Imaging.  ACS Applied Materials & Interfaces,      [PMID:41175061] [10.1021/acsami.5c17410]

6. Li Hongwei, Lv Shichao, Qiu Jianrong, Zhou Shifeng.  (2026)  Organic-inorganic hybrid scintillating glass for high-energy particle detection.  Nature Communications,      [PMID:] [10.1038/s41467-026-72884-w]