2-Oxazolidinone - ≥99% , CAS No.497-25-6

CAS: 497-25-6 Cat. No.: O133460 Molecular Weight: 87.08 Beilstein Registry Number: 27135 EC Number: 207-840-9

GRADE & PURITY ≥99%

Synonyms

CHEBI:1237 | STR03231 | AMY39498 | Carbamic acid, (2-hydroxyethyl)-, .gamma.-lactone | SMR000857362 | STL183293 | Geigy G-29288 | 2-oxo-1,3-oxazolidine | OXAZOLIDINE,2-ONE | (4-Nitrophenyl)(phenyl)sulfane | 2H-oxazol-2-id-4-one;Oxazolidin-2-one | AKOS0001

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

CHEBI:1237 | STR03231 | AMY39498 | Carbamic acid, (2-hydroxyethyl)-, .gamma.-lactone | SMR000857362 | STL183293 | Geigy G-29288 | 2-oxo-1, 3-oxazolidine | OXAZOLIDINE, 2-ONE | (4-Nitrophenyl)(phenyl)sulfane | 2H-oxazol-2-id-4-one;Oxazolidin-2-one | AKOS0001

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488184840
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184840
• Canonical Smiles: C1COC(=O)N1
• IUPAC Name: 1,3-oxazolidin-2-one
• InChIKey: IZXIZTKNFFYFOF-UHFFFAOYSA-N
• INCHI: 1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)
• Isomeric SMILES: C1COC(=O)N1
• WGK Germany: 3
• RTECS: RQ2450000
• Molecular Weight: 87.08
• Beilstein: 27135
• Reaxy-Rn: 106251
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=106251&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azolines
      • Subclass Oxazolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azolines
• Subclass: Oxazolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxazolines
• Alternative Parents: Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxazoline - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as oxazolines. These are organic compounds containing 1,3-oxazoline, a five-membered ring with a nitrogen and an oxygen atoms at the 1- and 3-position, respectively. Additionally, it contains two double bonds.
• External Descriptors: Cyclic lactones

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)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RAPGEF4 Tchem Rap guanine nucleotide exchange factor 4 (11476 Activities)

Discover Target: RAPGEF4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water & methanol.
• Boil Point(°C): 200 °C
• Melt Point(°C): 89 °C
• Molecular Weight: 87.080 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 87.032 Da
• Monoisotopic Mass: 87.032 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 71.200
• 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. Wentao Zheng, Guangwen Yu, Guibing Xia, Wanghao Shen, Weizhong Shi, Tengteng Zhou, Xiankun Wu.  (2023)  Experimental solubility and thermodynamic modeling of nitric oxide absorption in low-viscosity DBU-based deep eutectic solvents.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2023.121785]

2. Hao Ling, Qiufeng Mao, Sen Liu, Hongxia Gao, Juan Lv, Yu Mao, Zhiwu Liang.  (2021)  Simple and Shortcut Method for Evaluating and Guiding the Removal of Degradation Products, Improving Solvent Performance, and Reducing Regeneration Energy.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.0c05762]

3. Wentao Zheng, Jialing Chen, Yujiao Jia, Nengqi Sun, Xiankun Wu.  (2025)  Thermodynamic analysis of nitric oxide absorption in deep eutectic solvents comprising 1,1,3,3-tetramethylguanidine.  JOURNAL OF CHEMICAL THERMODYNAMICS,      [PMID:] [10.1016/j.jct.2025.107563]