A1BZA

3-chloro-N-[(3M)-3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]benzamide

Created:	2025-03-06
Last modified:	2025-04-23

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1 entries where A1BZA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	17

2D diagram of A1BZA

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Chemical Component Summary
Name	3-chloro-N-[(3M)-3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]benzamide
Systematic Name (OpenEye OEToolkits)	3-chloranyl-~{N}-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]benzamide
Formula	C₁₇ H₁₀ Cl F₃ N₂ O₂
Molecular Weight	366.722
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	Clc1cccc(c1)C(=O)Nc1cc(cc(c1)c1cnco1)C(F)(F)F
SMILES	CACTVS	3.385	FC(F)(F)c1cc(NC(=O)c2cccc(Cl)c2)cc(c1)c3ocnc3
SMILES	OpenEye OEToolkits	3.1.0.0	c1cc(cc(c1)Cl)C(=O)Nc2cc(cc(c2)C(F)(F)F)c3cnco3
Canonical SMILES	CACTVS	3.385	FC(F)(F)c1cc(NC(=O)c2cccc(Cl)c2)cc(c1)c3ocnc3
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	c1cc(cc(c1)Cl)C(=O)Nc2cc(cc(c2)C(F)(F)F)c3cnco3
InChI	InChI	1.06	InChI=1S/C17H10ClF3N2O2/c18-13-3-1-2-10(5-13)16(24)23-14-6-11(15-8-22-9-25-15)4-12(7-14)17(19,20)21/h1-9H,(H,23,24)
InChIKey	InChI	1.06	ZLCQVWFLQXJOKN-UHFFFAOYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.