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Summary Geometry Related PDB entries

JRD

Summary

Name:	N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
Formula:	C17 H17 N3 O2 S
Formal charge:	0
Formula weight:	327.401 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
OpenEye OEToolkits	2.0.7	~{N}-[(3-methyl-1,2-oxazol-5-yl)methyl]-~{N}-(4-phenyl-1,3-thiazol-2-yl)propanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(N(c2scc(c1ccccc1)n2)Cc3onc(C)c3)CC
InChI	InChI	1.03	InChI=1S/C17H17N3O2S/c1-3-16(21)20(10-14-9-12(2)19-22-14)17-18-15(11-23-17)13-7-5-4-6-8-13/h4-9,11H,3,10H2,1-2H3
InChIKey	InChI	1.03	CFQVOLILATVGHO-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCC(=O)N(Cc1onc(C)c1)c2scc(n2)c3ccccc3
SMILES	CACTVS	3.385	CCC(=O)N(Cc1onc(C)c1)c2scc(n2)c3ccccc3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCC(=O)N(Cc1cc(no1)C)c2nc(cs2)c3ccccc3
SMILES	OpenEye OEToolkits	2.0.7	CCC(=O)N(Cc1cc(no1)C)c2nc(cs2)c3ccccc3

218853

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