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BioLiP

PDB CCD ID: Q4U
Number of entries in BioLiP: 1
Chemical formula: C9 H14 N2 O2
InChI: InChI=1S/C9H14N2O2/c1-4-11(5-2)9(12)8-6-7(3)10-13-8/h6H,4-5H2,1-3H3
InChIKey: VJHBSTACGXETFD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCN(CC)C(=O)c1cc(no1)C
ACDLabs 12.01O=C(N(CC)CC)c1cc(C)no1
CACTVS 3.385CCN(CC)C(=O)c1onc(C)c1
Name:N,N-diethyl-3-methyl-1,2-oxazole-5-carboxamide
ZINC: ZINC000006738081
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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