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Summary Geometry Related PDB entries

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Summary

Name:	4-{[2-(3-benzyl-1,2,4-oxadiazol-5-yl)-3-methyl-1-benzofuran-4-yl]oxy}piperidine
Formula:	C23 H23 N3 O3
Formal charge:	0
Formula weight:	389.447 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-{[2-(3-benzyl-1,2,4-oxadiazol-5-yl)-3-methyl-1-benzofuran-4-yl]oxy}piperidine
OpenEye OEToolkits	1.9.2	5-(3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-yl)-3-(phenylmethyl)-1,2,4-oxadiazole

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1c(onc1Cc2ccccc2)c4oc5cccc(OC3CCNCC3)c5c4C
InChI	InChI	1.03	InChI=1S/C23H23N3O3/c1-15-21-18(27-17-10-12-24-13-11-17)8-5-9-19(21)28-22(15)23-25-20(26-29-23)14-16-6-3-2-4-7-16/h2-9,17,24H,10-14H2,1H3
InChIKey	InChI	1.03	QVBWWXFSCCHYFK-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1c(oc2cccc(OC3CCNCC3)c12)c4onc(Cc5ccccc5)n4
SMILES	CACTVS	3.385	Cc1c(oc2cccc(OC3CCNCC3)c12)c4onc(Cc5ccccc5)n4
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	Cc1c2c(cccc2OC3CCNCC3)oc1c4nc(no4)Cc5ccccc5
SMILES	OpenEye OEToolkits	1.9.2	Cc1c2c(cccc2OC3CCNCC3)oc1c4nc(no4)Cc5ccccc5

227111

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