3-(2-{4-[3-(Trifluoromethyl)Phenyl]-1-Piperazinyl}Ethyl)[1,3]Oxazolo[4,5-B]Pyridin-2(3H)-One

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Formula C19H19F3N4O2
IUPAC Name 3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]oxazolo[4,5-b]pyridin-2-one
Molecular Mass 392.375 g·mol−1
Heat of Formation -638.7 ± 16.7 kJ·mol−1
Dipole Moment 2.91 ± 1.08 D
Volume 437.36 Å 3
Surface Area 384.13 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)oxazolo(4,5-b)pyridin-2(3h)-one
  • 3-[2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl]-2-oxazolo[4,5-b]pyridinone
  • 3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
  • oxazolo(4,5-b)pyridin-2(3h)-one, 3-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-
CAS Number(s)
  • 134336-98-4
InChIKey YQARSAGBQNDCCY-UHFFFAOYSA-N
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