A1IZY

[4-(5-chloranyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[2-(4-cyclopentylpyridin-3-yl)-1,3-benzoxazol-6-yl]methanone

Created:	2025-01-27
Last modified:	2025-12-10

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Chemical Details
Formal Charge	0
Atom Count	63
Chiral Atom Count	0
Bond Count	69
Aromatic Bond Count	26

2D diagram of A1IZY

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Chemical Component Summary
Name	[4-(5-chloranyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[2-(4-cyclopentylpyridin-3-yl)-1,3-benzoxazol-6-yl]methanone
Systematic Name (OpenEye OEToolkits)	[4-(5-chloranyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[2-(4-cyclopentylpyridin-3-yl)-1,3-benzoxazol-6-yl]methanone
Formula	C₂₈ H₂₅ Cl N₆ O₃
Molecular Weight	528.989
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Clc1ccc2oc(nc2n1)N3CCN(CC3)C(=O)c4ccc5nc(oc5c4)c6cnccc6C7CCCC7
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1C(=O)N3CCN(CC3)c4nc5c(o4)ccc(n5)Cl)oc(n2)c6cnccc6C7CCCC7
Canonical SMILES	CACTVS	3.385	Clc1ccc2oc(nc2n1)N3CCN(CC3)C(=O)c4ccc5nc(oc5c4)c6cnccc6C7CCCC7
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1C(=O)N3CCN(CC3)c4nc5c(o4)ccc(n5)Cl)oc(n2)c6cnccc6C7CCCC7
InChI	InChI	1.06	InChI=1S/C28H25ClN6O3/c29-24-8-7-22-25(32-24)33-28(38-22)35-13-11-34(12-14-35)27(36)18-5-6-21-23(15-18)37-26(31-21)20-16-30-10-9-19(20)17-3-1-2-4-17/h5-10,15-17H,1-4,11-14H2
InChIKey	InChI	1.06	RKCIAPWMPDOONC-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.