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Summary Geometry Related PDB entries

2ZW

Summary

Name:	3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-yl)phenyl]-1,2-oxazole-4-carboxamide
Formula:	C20 H19 Cl N2 O2
Formal charge:	0
Formula weight:	354.83 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-yl)phenyl]-1,2-oxazole-4-carboxamide
OpenEye OEToolkits	1.7.6	3-(2-chlorophenyl)-5-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1ccccc1c2noc(c2C(=O)Nc3ccc(cc3)C(C)C)C
InChI	InChI	1.03	InChI=1S/C20H19ClN2O2/c1-12(2)14-8-10-15(11-9-14)22-20(24)18-13(3)25-23-19(18)16-6-4-5-7-17(16)21/h4-12H,1-3H3,(H,22,24)
InChIKey	InChI	1.03	WRQYTVUHKWFTAU-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)c1ccc(NC(=O)c2c(C)onc2c3ccccc3Cl)cc1
SMILES	CACTVS	3.385	CC(C)c1ccc(NC(=O)c2c(C)onc2c3ccccc3Cl)cc1
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	Cc1c(c(no1)c2ccccc2Cl)C(=O)Nc3ccc(cc3)C(C)C
SMILES	OpenEye OEToolkits	1.7.6	Cc1c(c(no1)c2ccccc2Cl)C(=O)Nc3ccc(cc3)C(C)C

223532

数据于2024-08-07公开中

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