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Summary Geometry Related PDB entries

YJ3

Summary

Name:	(3P,5P)-3-{3-[(piperidin-4-yl)oxy]phenyl}-5-(2H-tetrazol-5-yl)-2,1-benzoxazole
Formula:	C19 H18 N6 O2
Formal charge:	0
Formula weight:	362.385 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(3P,5P)-3-{3-[(piperidin-4-yl)oxy]phenyl}-5-(2H-tetrazol-5-yl)-2,1-benzoxazole
OpenEye OEToolkits	2.0.7	3-(3-piperidin-4-yloxyphenyl)-5-(2~{H}-1,2,3,4-tetrazol-5-yl)-2,1-benzoxazole

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1c(ccc2noc(c12)c1cccc(OC2CCNCC2)c1)c1n[NH]nn1
InChI	InChI	1.06	InChI=1S/C19H18N6O2/c1-2-12(10-15(3-1)26-14-6-8-20-9-7-14)18-16-11-13(19-21-24-25-22-19)4-5-17(16)23-27-18/h1-5,10-11,14,20H,6-9H2,(H,21,22,24,25)
InChIKey	InChI	1.06	FXFKJFJHJWBHQJ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	C1CC(CCN1)Oc2cccc(c2)c3onc4ccc(cc34)c5n[nH]nn5
SMILES	CACTVS	3.385	C1CC(CCN1)Oc2cccc(c2)c3onc4ccc(cc34)c5n[nH]nn5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)OC2CCNCC2)c3c4cc(ccc4no3)c5n[nH]nn5
SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)OC2CCNCC2)c3c4cc(ccc4no3)c5n[nH]nn5

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