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Summary Geometry Related PDB entries

I9Z

Summary

Name:	5-methyl-4-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-2-phenyl-1,3-oxazole
Formula:	C22 H21 N3 O
Formal charge:	0
Formula weight:	343.422 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	5-methyl-4-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-2-phenyl-1,3-oxazole
OpenEye OEToolkits	2.0.7	5-methyl-4-[2-(1-methyl-4-phenyl-imidazol-2-yl)ethyl]-2-phenyl-1,3-oxazole

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cn1cc(nc1CCc1nc(oc1C)c1ccccc1)c1ccccc1
InChI	InChI	1.03	InChI=1S/C22H21N3O/c1-16-19(24-22(26-16)18-11-7-4-8-12-18)13-14-21-23-20(15-25(21)2)17-9-5-3-6-10-17/h3-12,15H,13-14H2,1-2H3
InChIKey	InChI	1.03	BWZAPJVTJXZJHR-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1cc(nc1CCc2nc(oc2C)c3ccccc3)c4ccccc4
SMILES	CACTVS	3.385	Cn1cc(nc1CCc2nc(oc2C)c3ccccc3)c4ccccc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1c(nc(o1)c2ccccc2)CCc3nc(cn3C)c4ccccc4
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(nc(o1)c2ccccc2)CCc3nc(cn3C)c4ccccc4

223532

PDB entries from 2024-08-07

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