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- ChemComp-UOI: 3-methyl-N-(pyridin-4-yl)-1,2-oxazole-5-carboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: UOI
NameName: 3-methyl-N-(pyridin-4-yl)-1,2-oxazole-5-carboxamide

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Chemical information

Composition
Formula: C10H9N3O2 / Number of atoms: 24 / Formula weight: 203.197 / Formal charge: 0
Others

5fzl

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: UOI / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5FZL
History
Create componentMar 24, 2016
Initial releaseApr 6, 2016
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 12.01Cc2cc(C(Nc1ccncc1)=O)on2
CACTVS 3.385Cc1cc(on1)C(=O)Nc2ccncc2
OpenEye OEToolkits 1.7.6Cc1cc(on1)C(=O)Nc2ccncc2

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SMILES CANONICAL

CACTVS 3.385Cc1cc(on1)C(=O)Nc2ccncc2
OpenEye OEToolkits 1.7.6Cc1cc(on1)C(=O)Nc2ccncc2

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InChI

InChI 1.03InChI=1S/C10H9N3O2/c1-7-6-9(15-13-7)10(14)12-8-2-4-11-5-3-8/h2-6H,1H3,(H,11,12,14)

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InChIKey

InChI 1.03HPNYMQLDUOKPSU-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.013-methyl-N-(pyridin-4-yl)-1,2-oxazole-5-carboxamide
OpenEye OEToolkits 1.7.63-methyl-N-pyridin-4-yl-1,2-oxazole-5-carboxamide

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PDB entries

Showing all 1 items

PDB-5fzl:
Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment 3-methyl-N-pyridin-4-yl-1,2-oxazole-5-carboxamide (N09954a) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening)

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