Benzoxazoles

Description:

Organic compounds containing a benzene fused to an oxazole ring Oxazole is five-membered aromatic ring with a nitrogen and an oxygen atoms at the 1- and 3-position, respectively.

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  1. Dehydro-ZINC39395747
    CAS: 433248-87-4 Formula: C12H9N3O2S2 Molecular Weight: 291.400
    Out of Stock Item #: D1029407
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    IUPAC Name
    6-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one
    SMILES
    C1=CC=C2C(=C1)N=C(O2)SCC3=CC(=O)NC(=S)N3
    InChIKey
    ZBZUSIRGXUAECB-UHFFFAOYSA-N
    InChI
    1S/C12H9N3O2S2/c16-10-5-7(13-11(18)15-10)6-19-12-14-8-3-1-2-4-9(8)17-12/h1-5H,6H2,(H2,13,15,16,18)
  2. Phenyl 5-Chloro-2-Oxobenzo(D)Oxazole-3(2H)-Carboxylate
    CAS: 371215-02-0 Formula: C14H8ClNO4 Molecular Weight: 289.67
    Out of Stock Item #: P1336847
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    IUPAC Name
    phenyl 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate
    SMILES
    C1=CC=C(C=C1)OC(=O)N2C3=C(C=CC(=C3)Cl)OC2=O
    InChIKey
    FYDGHUOMMFLMLH-UHFFFAOYSA-N
    InChI
    1S/C14H8ClNO4/c15-9-6-7-12-11(8-9)16(14(18)20-12)13(17)19-10-4-2-1-3-5-10/h1-8H
  3. Oxazosulfyl
    CAS: 1616678-32-0 Formula: C15H11F3N2O5S2 Molecular Weight: 420.4
    Out of Stock Item #: O1283375
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    IUPAC Name
    2-(3-ethylsulfonylpyridin-2-yl)-5-(trifluoromethylsulfonyl)-1,3-benzoxazole
    SMILES
    CCS(=O)(=O)C1=C(N=CC=C1)C2=NC3=C(O2)C=CC(=C3)S(=O)(=O)C(F)(F)F
    InChIKey
    PTQBEFQWTBZMED-UHFFFAOYSA-N
    InChI
    1S/C15H11F3N2O5S2/c1-2-26(21,22)12-4-3-7-19-13(12)14-20-10-8-9(5-6-11(10)25-14)27(23,24)15(16,17)18/h3-8H,2H2,1H3
  4. 5-Chloro-6-hydroxybenzo[d]oxazol-2(3H)-one
    CAS: 1750-45-4 PubChem CID: 2734 Formula: C7H4ClNO3 Molecular Weight: 185.56
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥97%
    Out of Stock Item #: C768416
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    IUPAC Name
    5-chloro-6-hydroxy-3H-1,3-benzoxazol-2-one
    SMILES
    C1=C2C(=CC(=C1Cl)O)OC(=O)N2
    InChIKey
    AGLXDWOTVQZHIQ-UHFFFAOYSA-N
    InChI
    1S/C7H4ClNO3/c8-3-1-4-6(2-5(3)10)12-7(11)9-4/h1-2,10H,(H,9,11)
    Synonyms
    5-Chloro-6-hydroxybenzo[d]oxazol-2(3H)-one | 6-Hydroxy Chlorzoxazone
  5. (R)-5-Chloro-2-(5-methyl-1,4-diazepan-1-yl)benzo[d]oxazole hydrochloride
    CAS: 1266664-66-7 PubChem CID: 60165609 Formula: C13H17Cl2N3O Molecular Weight: 302.2
    Out of Stock Item #: C770317
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    IUPAC Name
    5-chloro-2-[(5R)-5-methyl-1,4-diazepan-1-yl]-1,3-benzoxazole;hydrochloride
    SMILES
    CC1CCN(CCN1)C2=NC3=C(O2)C=CC(=C3)Cl.Cl
    InChIKey
    ZCQKTYRISREUFV-SBSPUUFOSA-N
    InChI
    1S/C13H16ClN3O.ClH/c1-9-4-6-17(7-5-15-9)13-16-11-8-10(14)2-3-12(11)18-13;/h2-3,8-9,15H,4-7H2,1H3;1H/t9-;/m1./s1
  6. Methyl 2-mercaptobenzo[d]oxazole-5-carboxylate
    CAS: 72730-39-3 PubChem CID: 5306948 Formula: C9H7NO3S Molecular Weight: 209.23
    Out of Stock Item #: M709607
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    IUPAC Name
    methyl 2-sulfanylidene-3H-1,3-benzoxazole-5-carboxylate
    SMILES
    COC(=O)C1=CC2=C(C=C1)OC(=S)N2
    InChIKey
    JMJGRFGKJKXVPP-UHFFFAOYSA-N
    InChI
    1S/C9H7NO3S/c1-12-8(11)5-2-3-7-6(4-5)10-9(14)13-7/h2-4H,1H3,(H,10,14)
  7. Methyl 2-oxo-2,3-dihydro-1,3-benzoxazole-6-carboxylate
    CAS: 72752-80-8 PubChem CID: 12564532 Formula: C9H7NO4 Molecular Weight: 193.16
    Out of Stock Item #: M726921
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    IUPAC Name
    methyl 2-oxo-3H-1,3-benzoxazole-6-carboxylate
    SMILES
    COC(=O)C1=CC2=C(C=C1)NC(=O)O2
    InChIKey
    FUJBKRLYHYJMNF-UHFFFAOYSA-N
    InChI
    1S/C9H7NO4/c1-13-8(11)5-2-3-6-7(4-5)14-9(12)10-6/h2-4H,1H3,(H,10,12)
  8. 6-benzoxazolol
    CAS: 106050-81-1 EC Number: 834-391-1 PubChem CID: 11693915
    Out of Stock Item #: B726198
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    IUPAC Name
    1,3-benzoxazol-6-ol
    SMILES
    C1=CC2=C(C=C1O)OC=N2
    InChIKey
    SAHAKBXWZLDNAA-UHFFFAOYSA-N
    InChI
    1S/C7H5NO2/c9-5-1-2-6-7(3-5)10-4-8-6/h1-4,9H
  9. 6-Nitro-1,3-benzoxazol-2-amine
    CAS: 6458-17-9 PubChem CID: 12251554 Formula: C7H5N3O3 Molecular Weight: 179.13
    Out of Stock Item #: N726611
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    Technical Identifiers
    IUPAC Name
    6-nitro-1,3-benzoxazol-2-amine
    SMILES
    C1=CC2=C(C=C1[N+](=O)[O-])OC(=N2)N
    InChIKey
    UHYVXILHAMUPRP-UHFFFAOYSA-N
    InChI
    1S/C7H5N3O3/c8-7-9-5-2-1-4(10(11)12)3-6(5)13-7/h1-3H,(H2,8,9)
  10. 5-(Trifluoromethyl)benzoxazole
    CAS: 1267217-46-8 Formula: C8H4F3NO Molecular Weight: 187.12
    Liquid ≥97%
    Out of Stock Item #: B730136
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    Technical Identifiers
    IUPAC Name
    5-(trifluoromethyl)-1,3-benzoxazole
    SMILES
    C1=CC2=C(C=C1C(F)(F)F)N=CO2
    InChIKey
    IYKOEMQMBVZOSI-UHFFFAOYSA-N
    InChI
    1S/C8H4F3NO/c9-8(10,11)5-1-2-7-6(3-5)12-4-13-7/h1-4H
    Synonyms
    5-(Trifluoromethyl)benzo[d]oxazole
  11. 5-Bromo-2-chloro-benzoxazole
    CAS: 1030377-54-8 EC Number: 846-192-7 PubChem CID: 56687000 Formula: C7H3BrClNO Molecular Weight: 232.46
    Solid ≥97%
    In Stock Item #: B733986
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    Technical Identifiers
    IUPAC Name
    5-bromo-2-chloro-1,3-benzoxazole
    SMILES
    C1=CC2=C(C=C1Br)N=C(O2)Cl
    InChIKey
    YAAOMYRRXGGRAZ-UHFFFAOYSA-N
    InChI
    1S/C7H3BrClNO/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H
    Synonyms
    5-Bromo-2-chloro-1,3-benzoxazole | 5-Bromo-2-chlorobenzo[d]oxazole
  12. 4-Methoxybenzo[d]oxazole-2(3H)-thione
    CAS: 1246471-39-5 PubChem CID: 68009432 Formula: C8H7NO2S Molecular Weight: 181.21
    Out of Stock Item #: M734692
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    Technical Identifiers
    IUPAC Name
    4-methoxy-3H-1,3-benzoxazole-2-thione
    SMILES
    COC1=CC=CC2=C1NC(=S)O2
    InChIKey
    KNQYHNDFKVAMEI-UHFFFAOYSA-N
    InChI
    1S/C8H7NO2S/c1-10-5-3-2-4-6-7(5)9-8(12)11-6/h2-4H,1H3,(H,9,12)
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