3-{5-[4-(Benzyloxy)Phenyl]-2-Oxo-1,3,4-Oxadiazol-3(2H)-Yl}Propanenitrile

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Properties Simple | Detailed

Formula C18H15N3O3
IUPAC Name 3-[2-oxo-5-[4-(phenylmethoxy)phenyl]-1,3,4-oxadiazol-3-yl]propanenitrile
Molecular Mass 321.330 g·mol−1
Heat of Formation -8.0 ± 16.7 kJ·mol−1
Dipole Moment 2.10 ± 1.08 D
Volume 378.17 Å 3
Surface Area 350.03 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3,4-oxadiazole-3(2h)-propanenitrile, 2-oxo-5-(4-(phenylmethoxy)phenyl)-
  • 3-[5-[4-(benzyloxy)phenyl]-2-keto-1,3,4-oxadiazol-3-yl]propionitrile
  • 5-(4-(benzyloxy)phenyl)-3-(2-cyanoethyl)-1,3,4-oxadiazol-2(3h)-one
  • 5-bzph-oxdo
  • md 230254
CAS Number(s)
  • 147807-20-3
InChIKey RBWUKXWSNXXLOG-UHFFFAOYSA-N
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