BioLiP

PDB

BioLiP

PDB CCD ID:

J5G

Number of entries in BioLiP:

Chemical formula:

C6 H8 N2 O2

InChI:

InChI=1S/C6H8N2O2/c1-4-3-6(8-10-4)7-5(2)9/h3H,1-2H3,(H,7,8,9)

InChIKey:

CUYZUESBPHQWRI-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c1(C)onc(NC(=O)C)c1
CACTVS 3.385	CC(=O)Nc1cc(C)on1
OpenEye OEToolkits 2.0.6	Cc1cc(no1)NC(=O)C

Name:

N-(5-methyl-1,2-oxazol-3-yl)acetamide

ZINC:

ZINC000000152876

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).