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- ChemComp-8AK: N-cyclopropyl-5-methyl-N-(propan-2-yl)-1,2-oxazole-3-carboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: 8AK
NameName: N-cyclopropyl-5-methyl-N-(propan-2-yl)-1,2-oxazole-3-carboxamide

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Chemical information

Composition
Formula: C11H16N2O2 / Number of atoms: 31 / Formula weight: 208.257 / Formal charge: 0
Others

5sbs

Type: non-polymer / PDB classification: HETAIN / Three letter code: 8AK / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5SBS
History
Create componentSep 14, 2021
Initial releaseSep 22, 2021
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 12.01Cc1cc(no1)C(=O)N(C1CC1)C(C)C
CACTVS 3.385CC(C)N(C1CC1)C(=O)c2cc(C)on2
OpenEye OEToolkits 2.0.7Cc1cc(no1)C(=O)N(C2CC2)C(C)C

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SMILES CANONICAL

CACTVS 3.385CC(C)N(C1CC1)C(=O)c2cc(C)on2
OpenEye OEToolkits 2.0.7Cc1cc(no1)C(=O)N(C2CC2)C(C)C

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InChI

InChI 1.03InChI=1S/C11H16N2O2/c1-7(2)13(9-4-5-9)11(14)10-6-8(3)15-12-10/h6-7,9H,4-5H2,1-3H3

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InChIKey

InChI 1.03KOQGLXMVOJEOLV-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-cyclopropyl-5-methyl-N-(propan-2-yl)-1,2-oxazole-3-carboxamide
OpenEye OEToolkits 2.0.7~{N}-cyclopropyl-5-methyl-~{N}-propan-2-yl-1,2-oxazole-3-carboxamide

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PDB entries

Showing all 1 items

PDB-5sbs:
CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z340495298

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