6-Chloro-N-(5-Pyrimidinyl)-3-{[3-(Trifluoromethyl)Phenyl]Amino}-1,2-Benzoxazole-7-Carboxamide

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Properties Simple | Detailed

Formula C19H11ClF3N5O2
IUPAC Name 6-chloro-n-pyrimidin-5-yl-3-[3-(trifluoromethyl)anilino]-1,2-benzoxazole-7-carboxamide
Molecular Mass 433.771 g·mol−1
Heat of Formation -385.8 ± 16.7 kJ·mol−1
Dipole Moment 6.07 ± 1.08 D
Volume 438.66 Å 3
Surface Area 394.52 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy 1.24 ± eV
Point Group Symmetry C1
Synonyms
  • 6-chloro-n-(5-pyrimidinyl)-3-[[3-(trifluoromethyl)phenyl]amino]-1,2-benzoxazole-7-carboxamide
  • 6-chloro-n-pyrimidin-5-yl-3-[[3-(trifluoromethyl)phenyl]amino]indoxazene-7-carboxamide
InChIKey FEGRQUWSKADGSP-UHFFFAOYSA-N
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