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- ChemComp-TQC: (3M)-5-cyclobutyl-3-(1-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole -

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Basic information

EntryDatabase: PDB chemical components / ID: TQC
NameName: (3M)-5-cyclobutyl-3-(1-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole

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Chemical information

Composition
Formula: C10H12N4O / Number of atoms: 27 / Formula weight: 204.228 / Formal charge: 0
Others

7goj

Type: non-polymer / PDB classification: HETAIN / Three letter code: TQC / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7GOJ
History
Create componentAug 28, 2023
Initial releaseNov 29, 2023
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 12.01Cn1ccnc1c1nc(on1)C1CCC1
CACTVS 3.385Cn1ccnc1c2noc(n2)C3CCC3
OpenEye OEToolkits 2.0.7Cn1ccnc1c2nc(on2)C3CCC3

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SMILES CANONICAL

CACTVS 3.385Cn1ccnc1c2noc(n2)C3CCC3
OpenEye OEToolkits 2.0.7Cn1ccnc1c2nc(on2)C3CCC3

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InChI

InChI 1.06InChI=1S/C10H12N4O/c1-14-6-5-11-9(14)8-12-10(15-13-8)7-3-2-4-7/h5-7H,2-4H2,1H3

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InChIKey

InChI 1.06OPUWQKONOBGDBJ-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(3M)-5-cyclobutyl-3-(1-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole
OpenEye OEToolkits 2.0.75-cyclobutyl-3-(1-methylimidazol-2-yl)-1,2,4-oxadiazole

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PDB entries

Showing all 3 items

PDB-7goj:
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1685106505

PDB-7h35:
Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z1685106505 (A71EV2A-x0309)

PDB-7i2n:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z1685106505 (DNV2_NS5A-x0571)

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