4-Propyl-5-(4-Pyridinyl)-1,3-Oxazol-2(3H)-One

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Properties Simple | Detailed

Formula C11H12N2O2
IUPAC Name 4-propyl-5-(4-pyridyl)-3h-oxazol-2-one
Molecular Mass 204.225 g·mol−1
Heat of Formation -185.5 ± 16.7 kJ·mol−1
Dipole Moment 5.24 ± 1.08 D
Volume 244.2 Å 3
Surface Area 230.66 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • 2(3h)-oxazolone, 4-propyl-5-(4-pyridinyl)-
  • 4-propyl-5-(4-pyridinyl)-2(3h)-oxazolone
  • 4-propyl-5-(4-pyridyl)-3h-oxazol-2-one
  • 4-propyl-5-pyridin-4-yl-3h-1,3-oxazol-2-one
  • mdl-27,032
CAS Number(s)
  • 110124-55-5
InChIKey BOCATKBAKISRLA-UHFFFAOYSA-N
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