Benzyl [4-(5-Methoxy-2-Oxo-1,3,4-Oxadiazol-3(2H)-Yl)-2-Methylphenyl]Carbamate

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Properties Simple | Detailed

Formula C18H17N3O5
IUPAC Name phenylmethyl n-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]carbamate
Molecular Mass 355.345 g·mol−1
Heat of Formation -450.4 ± 16.7 kJ·mol−1
Dipole Moment 6.45 ± 1.08 D
Volume 400.51 Å 3
Surface Area 374.9 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy 2.58 ± eV
Point Group Symmetry C1
Synonyms
  • n-[4-(2-keto-5-methoxy-1,3,4-oxadiazol-3-yl)-2-methyl-phenyl]carbamic acid benzyl ester
  • n-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]carbamic acid phenylmethyl ester
  • phenylmethyl n-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methyl-phenyl]carbamate
InChIKey QTENHWTVRQKWRI-UHFFFAOYSA-N
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