Phenyloxadiazoles

Description:

Polycyclic aromatic compounds containing a benzene ring linked to a 1,2,4-oxadiazole ring through a CC or CN bond.

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  1. 4-(5-{[(3-Phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)pyridine
    CAS: 919936-70-2 PubChem CID: 17408143 Formula: C16H11N5O2S Molecular Weight: 337.36
    Out of Stock Item #: P1034010
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    Technical Identifiers
    IUPAC Name
    2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
    SMILES
    C1=CC=C(C=C1)C2=NOC(=N2)CSC3=NN=C(O3)C4=CC=NC=C4
    InChIKey
    HNTUWEZDVRVSFY-UHFFFAOYSA-N
    InChI
    1S/C16H11N5O2S/c1-2-4-11(5-3-1)14-18-13(23-21-14)10-24-16-20-19-15(22-16)12-6-8-17-9-7-12/h1-9H,10H2
  2. 2-Amino-2-(5-(5-(3-chloro-4-propoxyphenyl)-1,2,4-oxadiazol-3-yl)benzofuran-2-yl)propane-1,3-diol
    CAS: 1220973-37-4 PubChem CID: 46199832
    Out of Stock Item #: A1282562
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    IUPAC Name
    2-amino-2-[5-[5-(3-chloro-4-propoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-benzofuran-2-yl]propane-1,3-diol
    SMILES
    CCCOC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC4=C(C=C3)OC(=C4)C(CO)(CO)N)Cl
    InChIKey
    YHNUTRJSCOJJKX-UHFFFAOYSA-N
    InChI
    1S/C22H22ClN3O5/c1-2-7-29-18-6-4-14(9-16(18)23)21-25-20(26-31-21)13-3-5-17-15(8-13)10-19(30-17)22(24,11-27)12-28/h3-6,8-10,27-28H,2,7,11-12,24H2,1H3
  3. 4-(5-Ethyl-1,2,4-oxadiazol-3-yl)benzoic acid
    CAS: 769132-76-5 EC Number: 676-869-0 PubChem CID: 24208814 Formula: C11H10N2O3 Molecular Weight: 218.21
    Solid ≥97%
    Out of Stock Item #: B768834
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    IUPAC Name
    4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoic acid
    SMILES
    CCC1=NC(=NO1)C2=CC=C(C=C2)C(=O)O
    InChIKey
    FKTMJZFSKHVEBY-UHFFFAOYSA-N
    InChI
    1S/C11H10N2O3/c1-2-9-12-10(13-16-9)7-3-5-8(6-4-7)11(14)15/h3-6H,2H2,1H3,(H,14,15)
    Synonyms
    Benzoic acid, 4-(5-ethyl-1,2,4-oxadiazol-3-yl)- (9CI)
  4. Ethyl 3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazole-5-carboxylate
    CAS: 163719-82-2 Formula: C12H9F3N2O3 Molecular Weight: 286.21
    Out of Stock Item #: E768640
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    Technical Identifiers
    SMILES
    CCOC(=O)C1=NC(=NO1)C2=CC=C(C=C2)C(F)(F)F
    InChIKey
    VDTVVMFQLPTAOT-UHFFFAOYSA-N
    InChI
    1S/C12H9F3N2O3/c1-2-19-11(18)10-16-9(17-20-10)7-3-5-8(6-4-7)12(13,14)15/h3-6H,2H2,1H3
  5. 3-[3-(4-Fluorophenyl)-1,2,4-Oxadiazol-5-Yl]Propanoic Acid
    CAS: 500025-07-0 PubChem CID: 7130711 Formula: C11H9FN2O3 Molecular Weight: 236.2
    Out of Stock Item #: P710170
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    IUPAC Name
    3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
    SMILES
    C1=CC(=CC=C1C2=NOC(=N2)CCC(=O)O)F
    InChIKey
    BUMRHSFCLPSTJE-UHFFFAOYSA-N
    InChI
    1S/C11H9FN2O3/c12-8-3-1-7(2-4-8)11-13-9(17-14-11)5-6-10(15)16/h1-4H,5-6H2,(H,15,16)
  6. 3-Phenyl-5-(thiophen-2-yl)-1,2,4-oxadiazole
    CAS: 330459-31-9 EC Number: 810-533-8 PubChem CID: 695679
    Out of Stock Item #: P735784
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    Technical Identifiers
    IUPAC Name
    3-phenyl-5-thiophen-2-yl-1,2,4-oxadiazole
    SMILES
    C1=CC=C(C=C1)C2=NOC(=N2)C3=CC=CS3
    InChIKey
    IHNSIFFSNUQGQN-UHFFFAOYSA-N
    InChI
    1S/C12H8N2OS/c1-2-5-9(6-3-1)11-13-12(15-14-11)10-7-4-8-16-10/h1-8H
  7. 3-(chloromethyl)-5-(2-chlorophenyl)-1,2,4-oxadiazole
    CAS: 110704-33-1 PubChem CID: 16228375 Formula: C9H6N2OCl2 Molecular Weight: 229.06
    Out of Stock Item #: O728729
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    Technical Identifiers
    IUPAC Name
    3-(chloromethyl)-5-(2-chlorophenyl)-1,2,4-oxadiazole
    SMILES
    C1=CC=C(C(=C1)C2=NC(=NO2)CCl)Cl
    InChIKey
    RYRIXIFYINOGIR-UHFFFAOYSA-N
    InChI
    1S/C9H6Cl2N2O/c10-5-8-12-9(14-13-8)6-3-1-2-4-7(6)11/h1-4H,5H2
  8. 3-(3-Methyl-1,2,4-oxadiazol-5-yl)benzaldehyde
    CAS: 273727-50-7 PubChem CID: 18545510 Formula: C10H8N2O2 Molecular Weight: 188.19
    Out of Stock Item #: B729342
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    IUPAC Name
    3-(3-methyl-1,2,4-oxadiazol-5-yl)benzaldehyde
    SMILES
    CC1=NOC(=N1)C2=CC=CC(=C2)C=O
    InChIKey
    YUNJEYQSCYYAEF-UHFFFAOYSA-N
    InChI
    1S/C10H8N2O2/c1-7-11-10(14-12-7)9-4-2-3-8(5-9)6-13/h2-6H,1H3
  9. [3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanol
    CAS: 852180-70-2 PubChem CID: 7060550 Formula: C10H10N2O2 Molecular Weight: 190.2
    Out of Stock Item #: M710147
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    Technical Identifiers
    IUPAC Name
    [3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanol
    SMILES
    CC1=NC(=NO1)C2=CC=CC(=C2)CO
    InChIKey
    KCLCEECIUZDIGI-UHFFFAOYSA-N
    InChI
    1S/C10H10N2O2/c1-7-11-10(12-14-7)9-4-2-3-8(5-9)6-13/h2-5,13H,6H2,1H3
  10. (3-Phenyl-1,2,4-oxadiazol-5-yl)methanamine
    CAS: 90564-77-5 PubChem CID: 4894507 Formula: C9H9N3O Molecular Weight: 175.19
    Solid ≥98%
    Out of Stock Item #: A709363
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    Technical Identifiers
    IUPAC Name
    (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine
    SMILES
    C1=CC=C(C=C1)C2=NOC(=N2)CN
    InChIKey
    QFBMJBDECSEYCZ-UHFFFAOYSA-N
    InChI
    1S/C9H9N3O/c10-6-8-11-9(12-13-8)7-4-2-1-3-5-7/h1-5H,6,10H2
    Synonyms
    5-(Aminomethyl)-3-phenyl-1,2,4-oxadiazole | 1-(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine
  11. N-methyl-1-(4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)methanamine
    CAS: 857283-77-3 PubChem CID: 7162070 Formula: C11H13N3O Molecular Weight: 203.25
    Out of Stock Item #: N710204
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    Technical Identifiers
    IUPAC Name
    N-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanamine
    SMILES
    CC1=NC(=NO1)C2=CC=C(C=C2)CNC
    InChIKey
    RRWDXYWBTQVTDH-UHFFFAOYSA-N
    InChI
    1S/C11H13N3O/c1-8-13-11(14-15-8)10-5-3-9(4-6-10)7-12-2/h3-6,12H,7H2,1-2H3
  12. Methyl 3-(5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl)benzoate
    CAS: 775304-60-4 PubChem CID: 11208732 Formula: C16H11FN2O3 Molecular Weight: 298.27
    Solid ≥97%
    In Stock Item #: M725706
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    Technical Identifiers
    IUPAC Name
    methyl 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoate
    SMILES
    COC(=O)C1=CC=CC(=C1)C2=NOC(=N2)C3=CC=CC=C3F
    InChIKey
    LFJJTHGQRVVGGN-UHFFFAOYSA-N
    InChI
    1S/C16H11FN2O3/c1-21-16(20)11-6-4-5-10(9-11)14-18-15(22-19-14)12-7-2-3-8-13(12)17/h2-9H,1H3
    Synonyms
    Benzoic acid | 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]- | Methyl ester
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