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Summary Geometry Related PDB entries

ZDF

Summary

Name:	N-ethyl-N-({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)-2-(1H-pyrazol-1-yl)ethan-1-amine
Formula:	C22 H29 N5 O
Formal charge:	0
Formula weight:	379.499 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-ethyl-N-({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)-2-(1H-pyrazol-1-yl)ethan-1-amine
OpenEye OEToolkits	2.0.7	~{N}-ethyl-~{N}-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyrazol-1-yl-ethanamine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1ccc(cc1)C1(CCCC1)c1nc(CN(CC)CCn2cccn2)on1
InChI	InChI	1.06	InChI=1S/C22H29N5O/c1-3-26(15-16-27-14-6-13-23-27)17-20-24-21(25-28-20)22(11-4-5-12-22)19-9-7-18(2)8-10-19/h6-10,13-14H,3-5,11-12,15-17H2,1-2H3
InChIKey	InChI	1.06	CIGIIVQVOWUOHH-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCN(CCn1cccn1)Cc2onc(n2)C3(CCCC3)c4ccc(C)cc4
SMILES	CACTVS	3.385	CCN(CCn1cccn1)Cc2onc(n2)C3(CCCC3)c4ccc(C)cc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCN(CCn1cccn1)Cc2nc(no2)C3(CCCC3)c4ccc(cc4)C
SMILES	OpenEye OEToolkits	2.0.7	CCN(CCn1cccn1)Cc2nc(no2)C3(CCCC3)c4ccc(cc4)C

222415

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