BioLiP

PDB

BioLiP

PDB CCD ID:

Q4U

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCN(CC)C(=O)c1cc(no1)C
ACDLabs 12.01	O=C(N(CC)CC)c1cc(C)no1
CACTVS 3.385	CCN(CC)C(=O)c1onc(C)c1

Name:

N,N-diethyl-3-methyl-1,2-oxazole-5-carboxamide

ZINC:

ZINC000006738081

Reference:

Chengxin Zhang, Xi Zhang, Lydia 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).