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Summary Geometry Related PDB entries

A1E2K

Summary

Name:	4-[1-[4-[[(2~{R})-2-methyl-3~{H}-imidazo[2,1-b][1,3]oxazol-2-yl]methoxy]phenyl]piperidin-4-yl]oxyphenol
Formula:	C24 H27 N3 O4
Formal charge:	0
Formula weight:	421.489 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	4-[1-[4-[[(2~{R})-2-methyl-3~{H}-imidazo[2,1-b][1,3]oxazol-2-yl]methoxy]phenyl]piperidin-4-yl]oxyphenol

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C24H27N3O4/c1-24(16-27-15-12-25-23(27)31-24)17-29-20-6-2-18(3-7-20)26-13-10-22(11-14-26)30-21-8-4-19(28)5-9-21/h2-9,12,15,22,28H,10-11,13-14,16-17H2,1H3/t24-/m1/s1
InChIKey	InChI	1.06	RDPDFELMIDVTAR-XMMPIXPASA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@]1(COc2ccc(cc2)N3CCC(CC3)Oc4ccc(O)cc4)Cn5ccnc5O1
SMILES	CACTVS	3.385	C[C]1(COc2ccc(cc2)N3CCC(CC3)Oc4ccc(O)cc4)Cn5ccnc5O1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	C[C@@]1(Cn2ccnc2O1)COc3ccc(cc3)N4CCC(CC4)Oc5ccc(cc5)O
SMILES	OpenEye OEToolkits	2.0.7	CC1(Cn2ccnc2O1)COc3ccc(cc3)N4CCC(CC4)Oc5ccc(cc5)O

259016

PDB entries from 2026-09-02

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