N-{[4-(5-Methyl-3-Phenyl-1,2-Oxazol-4-Yl)Phenyl]Sulfonyl}Propanamide

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Properties Simple | Detailed

Formula C19H18N2O4S
IUPAC Name n-[4-(5-methyl-3-phenyl-isoxazol-4-yl)phenyl]sulfonylpropanamide
Molecular Mass 370.422 g·mol−1
Heat of Formation -330.7 ± 16.7 kJ·mol−1
Dipole Moment 3.52 ± 1.08 D
Volume 434.0 Å 3
Surface Area 339.75 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • d03716
  • n-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylpropanamide
  • n-[4-(5-methyl-3-phenyl-4-isoxazolyl)phenyl]sulfonylpropanamide
  • n-[4-(5-methyl-3-phenyl-isoxazol-4-yl)phenyl]sulfonylpropanamide
  • n-[4-(5-methyl-3-phenyl-isoxazol-4-yl)phenyl]sulfonylpropionamide
  • parecoxib
  • parecoxib (usan)
  • propanamide, n-((4-(5-methyl-3-phenyl-4-isoxazolyl)phenyl)sulfonyl)-
  • sc 69124
CAS Number(s)
  • 198470-84-7
InChIKey TZRHLKRLEZJVIJ-UHFFFAOYSA-N
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