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- ChemComp-8SG: N-(3-methyl-1,2-oxazol-5-yl)furan-2-carboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: 8SG
NameName: N-(3-methyl-1,2-oxazol-5-yl)furan-2-carboxamide

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Chemical information

Composition
Formula: C9H8N2O3 / Number of atoms: 22 / Formula weight: 192.171 / Formal charge: 0
Others

5po3

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 8SG / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5PO3
History
Create componentMar 3, 2017
Initial releaseMar 15, 2017
External linksUniChem / ChemSpider / PubChem / 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(=O)c1ccco1)c2cc(C)no2
CACTVS 3.385Cc1cc(NC(=O)c2occc2)on1
OpenEye OEToolkits 2.0.6Cc1cc(on1)NC(=O)c2ccco2

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SMILES CANONICAL

CACTVS 3.385Cc1cc(NC(=O)c2occc2)on1
OpenEye OEToolkits 2.0.6Cc1cc(on1)NC(=O)c2ccco2

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InChI

InChI 1.03InChI=1S/C9H8N2O3/c1-6-5-8(14-11-6)10-9(12)7-3-2-4-13-7/h2-5H,1H3,(H,10,12)

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InChIKey

InChI 1.03DXEANZHOQJCTFV-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-(3-methyl-1,2-oxazol-5-yl)furan-2-carboxamide
OpenEye OEToolkits 2.0.6~{N}-(3-methyl-1,2-oxazol-5-yl)furan-2-carboxamide

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PDB entries

Showing all 1 items

PDB-5po3:
PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10164a

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