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Summary Geometry Related PDB entries

A1AOW

Summary

Name:	4-methoxy-3-[(1-methylpiperidin-4-yl)oxy]-N-{[3-(propan-2-yl)-1,2-oxazol-5-yl]methyl}benzamide
Formula:	C21 H29 N3 O4
Formal charge:	0
Formula weight:	387.473 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-methoxy-3-[(1-methylpiperidin-4-yl)oxy]-N-{[3-(propan-2-yl)-1,2-oxazol-5-yl]methyl}benzamide
OpenEye OEToolkits	2.0.7	4-methoxy-3-(1-methylpiperidin-4-yl)oxy-~{N}-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC(C)c1cc(CNC(=O)c2ccc(OC)c(OC3CCN(C)CC3)c2)on1
InChI	InChI	1.06	InChI=1S/C21H29N3O4/c1-14(2)18-12-17(28-23-18)13-22-21(25)15-5-6-19(26-4)20(11-15)27-16-7-9-24(3)10-8-16/h5-6,11-12,14,16H,7-10,13H2,1-4H3,(H,22,25)
InChIKey	InChI	1.06	WBLVOWHFRUAMCP-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccc(cc1OC2CCN(C)CC2)C(=O)NCc3onc(c3)C(C)C
SMILES	CACTVS	3.385	COc1ccc(cc1OC2CCN(C)CC2)C(=O)NCc3onc(c3)C(C)C
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(C)c1cc(on1)CNC(=O)c2ccc(c(c2)OC3CCN(CC3)C)OC
SMILES	OpenEye OEToolkits	2.0.7	CC(C)c1cc(on1)CNC(=O)c2ccc(c(c2)OC3CCN(CC3)C)OC

247536

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