3-[2-(1,3-Benzoxazol-2-Yl)Ethyl]-5-Ethyl-6-(Hydroxymethyl)-2(1H)-Pyridinone

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Properties Simple | Detailed

Formula C17H18N2O3+
IUPAC Name 3-[2-(1,3-benzoxazol-2-yl)ethyl]-5-ethyl-6-(hydroxymethyl)pyridin-2-one
Molecular Mass 298.336 g·mol−1
Heat of Formation -316.2 ± 16.7 kJ·mol−1
Dipole Moment 4.44 ± 1.08 D
Volume 353.72 Å 3
Surface Area 328.5 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • 2(1h)-pyridinone, 3-(2-(2-benzoxazolyl)ethyl)-5-ethyl-6-(hydroxymethyl)-
  • 3-(2-(benzoxazol-2-yl)ethyl)-5-ethyl-6-hydroxymethylpyridin-2-(1h)-one
  • 3-[2-(1,3-benzoxazol-2-yl)ethyl]-5-ethyl-6-(hydroxymethyl)-1h-pyridin-2-one
  • 3-[2-(1,3-benzoxazol-2-yl)ethyl]-5-ethyl-6-methylol-2-pyridone
  • l 698,680
  • l 698680
  • l-698,680
  • l-698680
CAS Number(s)
  • 139548-02-0
InChIKey OOWYYMHQCRLNSR-UHFFFAOYSA-N
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