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- ChemComp-U0P: N'-cyclopropyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]urea -

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Basic information

EntryDatabase: PDB chemical components / ID: U0P
NameName: N'-cyclopropyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]urea

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Chemical information

Composition
Formula: C10H15N3O2 / Number of atoms: 30 / Formula weight: 209.245 / Formal charge: 0
Others

5rgi

Type: non-polymer / PDB classification: HETAIN / Three letter code: U0P / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5RGI
History
Create componentApr 8, 2020
Initial releaseApr 15, 2020
External linksUniChem / ChemSpider / 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 12.01C(N(C)Cc1noc(c1)C)(NC2CC2)=O
CACTVS 3.385CN(Cc1cc(C)on1)C(=O)NC2CC2
OpenEye OEToolkits 2.0.7Cc1cc(no1)CN(C)C(=O)NC2CC2

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SMILES CANONICAL

CACTVS 3.385CN(Cc1cc(C)on1)C(=O)NC2CC2
OpenEye OEToolkits 2.0.7Cc1cc(no1)CN(C)C(=O)NC2CC2

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InChI

InChI 1.03InChI=1S/C10H15N3O2/c1-7-5-9(12-15-7)6-13(2)10(14)11-8-3-4-8/h5,8H,3-4,6H2,1-2H3,(H,11,14)

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InChIKey

InChI 1.03QKUCRJSBLDVNFL-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N'-cyclopropyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
OpenEye OEToolkits 2.0.73-cyclopropyl-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea

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PDB entries

Showing all 3 items

PDB-13sq:
PanDDA analysis group deposition -- IDOL RING domain in complex with Z369936976

PDB-5rgi:
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z369936976 (Mpro-x0397)

PDB-5s2d:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z369936976

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