9O1

3-(2-chlorophenyl)-N-[(1R)-1-(naphthalen-2-yl)ethyl]-5-(propan-2-yl)-1,2-oxazole-4-carboxamide

Created:2017-05-19
Last modified:  2017-07-05

Find related ligands:

Chemical Details

Formal Charge0
Atom Count53
Chiral Atom Count1
Bond Count56
Aromatic Bond Count22
2D diagram of 9O1

Chemical Component Summary

Name3-(2-chlorophenyl)-N-[(1R)-1-(naphthalen-2-yl)ethyl]-5-(propan-2-yl)-1,2-oxazole-4-carboxamide
Systematic Name (OpenEye OEToolkits)3-(2-chlorophenyl)-~{N}-[(1~{R})-1-naphthalen-2-ylethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
FormulaC25 H23 Cl N2 O2
Molecular Weight418.915
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c4c(c1noc(c1C(NC(c3cc2c(cccc2)cc3)C)=O)C(C)C)c(ccc4)Cl
SMILESCACTVS3.385CC(C)c1onc(c2ccccc2Cl)c1C(=O)N[CH](C)c3ccc4ccccc4c3
SMILESOpenEye OEToolkits2.0.6CC(C)c1c(c(no1)c2ccccc2Cl)C(=O)NC(C)c3ccc4ccccc4c3
Canonical SMILESCACTVS3.385 CC(C)c1onc(c2ccccc2Cl)c1C(=O)N[C@H](C)c3ccc4ccccc4c3
Canonical SMILESOpenEye OEToolkits2.0.6 C[C@H](c1ccc2ccccc2c1)NC(=O)c3c(noc3C(C)C)c4ccccc4Cl
InChIInChI1.03 InChI=1S/C25H23ClN2O2/c1-15(2)24-22(23(28-30-24)20-10-6-7-11-21(20)26)25(29)27-16(3)18-13-12-17-8-4-5-9-19(17)14-18/h4-16H,1-3H3,(H,27,29)/t16-/m1/s1
InChIKeyInChI1.03 OKVWUQCQUFGLKM-MRXNPFEDSA-N

Related Resource References

Resource NameReference
PubChem 126962411