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SummaryGeometryRelated PDB entries

9O1

Summary
Name:3-(2-chlorophenyl)-N-[(1R)-1-(naphthalen-2-yl)ethyl]-5-(propan-2-yl)-1,2-oxazole-4-carboxamide
Formula:C25 H23 Cl N2 O2
Formal charge:0
Formula weight:418.915 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-(2-chlorophenyl)-N-[(1R)-1-(naphthalen-2-yl)ethyl]-5-(propan-2-yl)-1,2-oxazole-4-carboxamide
OpenEye OEToolkits2.0.63-(2-chlorophenyl)-~{N}-[(1~{R})-1-naphthalen-2-ylethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c4c(c1noc(c1C(NC(c3cc2c(cccc2)cc3)C)=O)C(C)C)c(ccc4)Cl
InChIInChI1.03InChI=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
InChIKeyInChI1.03OKVWUQCQUFGLKM-MRXNPFEDSA-N
SMILES_CANONICALCACTVS3.385CC(C)c1onc(c2ccccc2Cl)c1C(=O)N[C@H](C)c3ccc4ccccc4c3
SMILESCACTVS3.385CC(C)c1onc(c2ccccc2Cl)c1C(=O)N[CH](C)c3ccc4ccccc4c3
SMILES_CANONICALOpenEye OEToolkits2.0.6C[C@H](c1ccc2ccccc2c1)NC(=O)c3c(noc3C(C)C)c4ccccc4Cl
SMILESOpenEye OEToolkits2.0.6CC(C)c1c(c(no1)c2ccccc2Cl)C(=O)NC(C)c3ccc4ccccc4c3

225158

PDB entries from 2024-09-18

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