N-[4-(2,2-dimethylpropanoylamino)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide

Systemtic Name: N-[4-(2,2-dimethylpropanoylamino)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide Openeye Name: N-[4-(2,2-dimethylpropanoylamino)phenyl]-3-(3-fluorophenyl)isoxazole-5-carboxamide CAS Name: N-[4-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-3-(3-fluorophenyl)-5-isoxazolecarboxamide IUPAC Name: N-[4-(2,2-dimethylpropanoylamino)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide Traditional Name: 3-(3-fluorophenyl)-N-[4-(pivaloylamino)phenyl]isoxazole-5-carboxamide Formula: C21H20FN3O3 MolecularWeight: 381.400203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=NO2)C3=CC(=CC=C3)F

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=NO2)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H20FN3O3/c1-21(2,3)20(27)24-16-9-7-15(8-10-16)23-19(26)18-12-17(25-28-18)13-5-4-6-14(22)11-13/h4-12H,1-3H3,(H,23,26)(H,24,27)