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Summary Geometry Related PDB entries

LL3

Summary

Name:	2-phenyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}ethanone
Formula:	C19 H19 N3 O2 S
Formal charge:	0
Formula weight:	353.438 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-phenyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}ethanone
OpenEye OEToolkits	1.7.0	2-phenyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(N3CCC(c1onc(n1)c2sccc2)CC3)Cc4ccccc4
SMILES_CANONICAL	CACTVS	3.370	O=C(Cc1ccccc1)N2CCC(CC2)c3onc(n3)c4sccc4
SMILES	CACTVS	3.370	O=C(Cc1ccccc1)N2CCC(CC2)c3onc(n3)c4sccc4
SMILES_CANONICAL	OpenEye OEToolkits	1.7.0	c1ccc(cc1)CC(=O)N2CCC(CC2)c3nc(no3)c4cccs4
SMILES	OpenEye OEToolkits	1.7.0	c1ccc(cc1)CC(=O)N2CCC(CC2)c3nc(no3)c4cccs4
InChI	InChI	1.03	InChI=1S/C19H19N3O2S/c23-17(13-14-5-2-1-3-6-14)22-10-8-15(9-11-22)19-20-18(21-24-19)16-7-4-12-25-16/h1-7,12,15H,8-11,13H2
InChIKey	InChI	1.03	FNAMKJFTCMWMKP-UHFFFAOYSA-N

222926

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