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- ChemComp-UUM: 5-methyl-N-(1-methyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carboxamide -

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Basic information

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

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Chemical information

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

5rjt

Type: non-polymer / PDB classification: HETAIN / Three letter code: UUM / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5RJT
History
Create componentJun 2, 2020
Initial releaseJun 17, 2020
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(c1cn(C)nc1)C(=O)c2noc(C)c2
CACTVS 3.385Cn1cc(NC(=O)c2cc(C)on2)cn1
OpenEye OEToolkits 2.0.7Cc1cc(no1)C(=O)Nc2cnn(c2)C

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SMILES CANONICAL

CACTVS 3.385Cn1cc(NC(=O)c2cc(C)on2)cn1
OpenEye OEToolkits 2.0.7Cc1cc(no1)C(=O)Nc2cnn(c2)C

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InChI

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

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InChIKey

InChI 1.03NZGVYOGTUDYUSZ-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.015-methyl-N-(1-methyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carboxamide
OpenEye OEToolkits 2.0.75-methyl-~{N}-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide

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PDB entries

Showing all 1 items

PDB-5rjt:
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z404993336

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