3-[(1,3-Benzoxazol-2-Ylmethyl)Amino]-5-Ethyl-6-Methylpyridin-2-Ol

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Properties Simple | Detailed

Formula C16H17N3O2
IUPAC Name 3-(1,3-benzoxazol-2-ylmethylamino)-5-ethyl-6-methyl-1h-pyridin-2-one
Molecular Mass 283.325 g·mol−1
Heat of Formation -75.2 ± 16.7 kJ·mol−1
Dipole Moment 3.69 ± 1.08 D
Volume 338.28 Å 3
Surface Area 317.27 Å 2
HOMO Energy -8.04 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • 2(1h)-pyridinone, 3-((2-benzoxazolylmethyl)amino)-5-ethyl-6-methyl-
  • 2(1h)-pyridinone, 3-[(2-benzoxazolylmethyl)amino]-5-ethyl-6-methyl-
  • 3-(((1,3-benzoxazol-2-yl)methyl)amino)-5-ethyl-6-methylpyridin-2(1h)-one
  • 3-(1,3-benzoxazol-2-ylmethylamino)-5-ethyl-6-methyl-1h-pyridin-2-one
  • 3-(1,3-benzoxazol-2-ylmethylamino)-5-ethyl-6-methyl-2-pyridone
  • 3-[(2-benzoxazolylmethyl)amino]-5-ethyl-6-methylpyridin-2(1h)-one
  • l 696040
  • l-696,040
  • pyridinone deriv.
CAS Number(s)
  • 135525-70-1
InChIKey HXVYWXSMFWAGFQ-UHFFFAOYSA-N
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