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EFY

Summary
Name:N-(1-{[(3-tert-butylbenzoyl)amino]methyl}cyclopentyl)-2,1-benzoxazole-4-carboxamide
Formula:C25 H29 N3 O3
Formal charge:0
Formula weight:419.516 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(1-{[(3-tert-butylbenzoyl)amino]methyl}cyclopentyl)-2,1-benzoxazole-4-carboxamide
OpenEye OEToolkits1.7.6N-[1-[[(3-tert-butylphenyl)carbonylamino]methyl]cyclopentyl]-2,1-benzoxazole-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c1cccc(c1)C(C)(C)C)NCC4(NC(=O)c2cccc3nocc23)CCCC4
InChIInChI1.03InChI=1S/C25H29N3O3/c1-24(2,3)18-9-6-8-17(14-18)22(29)26-16-25(12-4-5-13-25)27-23(30)19-10-7-11-21-20(19)15-31-28-21/h6-11,14-15H,4-5,12-13,16H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyInChI1.03ZVPHHRCZSPAOCC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370CC(C)(C)c1cccc(c1)C(=O)NCC2(CCCC2)NC(=O)c3cccc4nocc34
SMILESCACTVS3.370CC(C)(C)c1cccc(c1)C(=O)NCC2(CCCC2)NC(=O)c3cccc4nocc34
SMILES_CANONICALOpenEye OEToolkits1.7.6CC(C)(C)c1cccc(c1)C(=O)NCC2(CCCC2)NC(=O)c3cccc4c3con4
SMILESOpenEye OEToolkits1.7.6CC(C)(C)c1cccc(c1)C(=O)NCC2(CCCC2)NC(=O)c3cccc4c3con4

224931

PDB entries from 2024-09-11

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