2ZW

3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-yl)phenyl]-1,2-oxazole-4-carboxamide

Created:	2014-05-02
Last modified:	2014-10-15

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2 entries where 2ZW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	0
Bond Count	46
Aromatic Bond Count	17

2D diagram of 2ZW

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Chemical Component Summary
Name	3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-yl)phenyl]-1,2-oxazole-4-carboxamide
Systematic Name (OpenEye OEToolkits)	3-(2-chlorophenyl)-5-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide
Formula	C₂₀ H₁₉ Cl N₂ O₂
Molecular Weight	354.83
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1ccccc1c2noc(c2C(=O)Nc3ccc(cc3)C(C)C)C
SMILES	CACTVS	3.385	CC(C)c1ccc(NC(=O)c2c(C)onc2c3ccccc3Cl)cc1
SMILES	OpenEye OEToolkits	1.7.6	Cc1c(c(no1)c2ccccc2Cl)C(=O)Nc3ccc(cc3)C(C)C
Canonical SMILES	CACTVS	3.385	CC(C)c1ccc(NC(=O)c2c(C)onc2c3ccccc3Cl)cc1
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1c(c(no1)c2ccccc2Cl)C(=O)Nc3ccc(cc3)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

Related Resource References

Resource Name	Reference
PubChem	1241573

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