N4-(4-Isopropylphenyl)-3-(2-Chlorophenyl)-5-Methylisoxazole-4-Carboxamide

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Properties Simple | Detailed

Formula C20H19ClN2O2
IUPAC Name 3-(2-chlorophenyl)-n-(4-isopropylphenyl)-5-methyl-isoxazole-4-carboxamide
Molecular Mass 354.830 g·mol−1
Heat of Formation -48.2 ± 16.7 kJ·mol−1
Dipole Moment 2.09 ± 1.08 D
Volume 418.78 Å 3
Surface Area 357.45 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy 2.28 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(2-chlorophenyl)-5-methyl-n-(4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide
  • 3-(2-chlorophenyl)-n-(4-isopropylphenyl)-5-methyl-4-isoxazolecarboxamide
  • 3-(2-chlorophenyl)-n-(4-isopropylphenyl)-5-methyl-isoxazole-4-carboxamide
  • bim-0009824.p001
  • cbmicro_009627
  • oprea1_140939
InChIKey WRQYTVUHKWFTAU-UHFFFAOYSA-N
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Elements H C Cl O N