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- ChemComp-H3V: N-(1,2-oxazol-3-yl)-2-phenylacetamide -

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Basic information

EntryDatabase: PDB chemical components / ID: H3V
NameName: N-(1,2-oxazol-3-yl)-2-phenylacetamide

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Chemical information

Composition
Formula: C11H10N2O2 / Number of atoms: 25 / Formula weight: 202.209 / Formal charge: 0
Others

5qh5

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: H3V / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5QH5
History
Create componentJun 11, 2018
Initial releaseMar 27, 2019
External linksUniChem / ChemSpider / PubChem / SureChEMBL / 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 12.01N(C(Cc1ccccc1)=O)c2ccon2
CACTVS 3.385O=C(Cc1ccccc1)Nc2ccon2
OpenEye OEToolkits 2.0.6c1ccc(cc1)CC(=O)Nc2ccon2

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SMILES CANONICAL

CACTVS 3.385O=C(Cc1ccccc1)Nc2ccon2
OpenEye OEToolkits 2.0.6c1ccc(cc1)CC(=O)Nc2ccon2

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InChI

InChI 1.03InChI=1S/C11H10N2O2/c14-11(12-10-6-7-15-13-10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13,14)

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InChIKey

InChI 1.03SGBROXCJKREELC-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-(1,2-oxazol-3-yl)-2-phenylacetamide
OpenEye OEToolkits 2.0.6~{N}-(1,2-oxazol-3-yl)-2-phenyl-ethanamide

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PDB entries

Showing all 1 items

PDB-5qh5:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NUOOA000224a

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