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- ChemComp-MOK: 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: MOK
NameName: 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid

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Chemical information

Composition
Formula: C11H9NO3 / Number of atoms: 24 / Formula weight: 203.194 / Formal charge: 0
Others

3vqd

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: MOK / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3VQD
History
Create componentMar 28, 2012
Initial releaseJan 25, 2013
External linksUniChem / ChemSpider / 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 12.01O=C(O)c2c(onc2c1ccccc1)C
CACTVS 3.370Cc1onc(c2ccccc2)c1C(O)=O
OpenEye OEToolkits 1.7.6Cc1c(c(no1)c2ccccc2)C(=O)O

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SMILES CANONICAL

CACTVS 3.370Cc1onc(c2ccccc2)c1C(O)=O
OpenEye OEToolkits 1.7.6Cc1c(c(no1)c2ccccc2)C(=O)O

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InChI

InChI 1.03InChI=1S/C11H9NO3/c1-7-9(11(13)14)10(12-15-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)

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InChIKey

InChI 1.03PENHKTNQUJMHIR-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.015-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid
OpenEye OEToolkits 1.7.65-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid

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PDB entries

Showing all 3 items

PDB-3vqd:
HIV-1 IN core domain in complex with 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid

PDB-5rsq:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000158490

PDB-7hrj:
PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z104482458

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