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- ChemComp-SW0: N-(2-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: SW0
NameName: N-(2-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide

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Chemical information

Composition
Formula: C11H9FN2O2 / Number of atoms: 25 / Formula weight: 220.2 / Formal charge: 0
Others

8dn0

Type: non-polymer / PDB classification: HETAIN / Three letter code: SW0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8DN0
History
Create componentJul 11, 2022
Initial releaseJun 21, 2023
External linksUniChem / ChemSpider / PubChem / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01Cc1cc(no1)C(=O)Nc1ccccc1F
CACTVS 3.385Cc1onc(c1)C(=O)Nc2ccccc2F
OpenEye OEToolkits 2.0.7Cc1cc(no1)C(=O)Nc2ccccc2F

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SMILES CANONICAL

CACTVS 3.385Cc1onc(c1)C(=O)Nc2ccccc2F
OpenEye OEToolkits 2.0.7Cc1cc(no1)C(=O)Nc2ccccc2F

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InChI

InChI 1.06InChI=1S/C11H9FN2O2/c1-7-6-10(14-16-7)11(15)13-9-5-3-2-4-8(9)12/h2-6H,1H3,(H,13,15)

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InChIKey

InChI 1.06VZLZHRVTOSUIPW-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-(2-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
OpenEye OEToolkits 2.0.7~{N}-(2-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide

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PDB entries

Showing all 3 items

PDB-8dn0:
E.coli DsbA in complex with N-(2-fluorophenyl)-5-methylisoxazole-3-carboxamide

PDB-8u59:
EcDsbA soaked with N-(2-fluorophenyl)-5-methylisoxazole-3-carboxamide and N-(4-(thiophen-3-yl)benzyl)cyclohexanamine

PDB-8ubq:
EcDsbA soaked with N-(2-fluorophenyl)-5-methylisoxazole-3-carboxamide and 2-benzyl-4-phenylthiazole-5-carboxylic acid

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