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- ChemComp-K0M: 3-methyl-N-(1-methyl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: K0M
NameName: 3-methyl-N-(1-methyl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide

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Chemical information

Composition
Formula: C9H10N4O2 / Number of atoms: 25 / Formula weight: 206.201 / Formal charge: 0
Others

5qjd

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: K0M / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5QJD
History
Create componentOct 25, 2018
Initial releaseDec 19, 2018
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 12.01N(c1nn(cc1)C)C(c2onc(C)c2)=O
CACTVS 3.385Cn1ccc(NC(=O)c2onc(C)c2)n1
OpenEye OEToolkits 2.0.6Cc1cc(on1)C(=O)Nc2ccn(n2)C

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SMILES CANONICAL

CACTVS 3.385Cn1ccc(NC(=O)c2onc(C)c2)n1
OpenEye OEToolkits 2.0.6Cc1cc(on1)C(=O)Nc2ccn(n2)C

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InChI

InChI 1.03InChI=1S/C9H10N4O2/c1-6-5-7(15-12-6)9(14)10-8-3-4-13(2)11-8/h3-5H,1-2H3,(H,10,11,14)

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InChIKey

InChI 1.03DMCIRIFKONIQNK-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.013-methyl-N-(1-methyl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide
OpenEye OEToolkits 2.0.63-methyl-~{N}-(1-methylpyrazol-3-yl)-1,2-oxazole-5-carboxamide

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PDB entries

Showing all 2 items

PDB-5qjd:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z240297434

PDB-5s4s:
Tubulin-Z240297434-complex

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