3-[N-(4,7-Dimethyl-2-Benzoxazolylmethyl)Amino]-5-Ethyl-6-Methylpyridin-2(1H)-One

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Properties Simple | Detailed

Formula C18H21N3O2+
IUPAC Name 3-[(4,7-dimethyl-1,3-benzoxazol-2-yl)methylamino]-5-ethyl-6-methyl-pyridin-2-one
Molecular Mass 311.378 g·mol−1
Heat of Formation -159.4 ± 16.7 kJ·mol−1
Dipole Moment 4.06 ± 1.08 D
Volume 378.8 Å 3
Surface Area 351.9 Å 2
HOMO Energy -7.95 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • 2(1h)-pyridinone, 3-(((4,7-dimethyl-2-benzoxazolyl)methyl)amino)-5-ethyl-6-methyl-
  • 3-(((4,7-dimethyl-1,3-benzoxazol-2-yl)methyl)amino)-5-ethyl-6-methylpyridin-2(1h)-one
  • 3-[(4,7-dimethyl-1,3-benzoxazol-2-yl)methylamino]-5-ethyl-6-methyl-1h-pyridin-2-one
  • 3-[(4,7-dimethyl-1,3-benzoxazol-2-yl)methylamino]-5-ethyl-6-methyl-2-pyridone
  • 3-[(4,7-dimethyl-2-benzoxazolylmethyl)amino]-5-ethyl-6-methylpyridin-2(1h)-one
  • drg-0101
  • l 697639
  • l-697,639
  • l-697,639 [j med chem 1992 oct 16;35(21)]
CAS Number(s)
  • 135525-77-8
InChIKey VDZJXIOFISBBLT-UHFFFAOYSA-N
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