BioLiP

PDB

BioLiP

PDB CCD ID:

A1B9H

Number of entries in BioLiP:

Chemical formula:

C19 H17 F N2 O3

InChI:

InChI=1S/C19H17FN2O3/c1-12-3-8-16(9-13(12)2)24-11-18(23)21-19-10-17(22-25-19)14-4-6-15(20)7-5-14/h3-10H,11H2,1-2H3,(H,21,23)

InChIKey:

MVPTZZZADWKBAN-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 14.52	Cc1cc(ccc1C)OCC(=O)Nc1cc(no1)c1ccc(F)cc1
OpenEye OEToolkits 3.1.0.0	Cc1ccc(cc1C)OCC(=O)Nc2cc(no2)c3ccc(cc3)F
CACTVS 3.385	Cc1ccc(OCC(=O)Nc2onc(c2)c3ccc(F)cc3)cc1C

Name:

2-(3,4-dimethylphenoxy)-N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]acetamide

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).