3-(3-{4-[(2-Pyridinyloxy)Methyl]Benzyl}-1,2-Oxazol-5-Yl)-2-Pyridinamine

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Properties Simple | Detailed

Formula C21H18N4O2
IUPAC Name 3-[3-[[4-(2-pyridyloxymethyl)phenyl]methyl]isoxazol-5-yl]pyridin-2-amine
Molecular Mass 358.393 g·mol−1
Heat of Formation 240.3 ± 16.7 kJ·mol−1
Dipole Moment 1.70 ± 1.08 D
Volume 420.61 Å 3
Surface Area 386.92 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[3-[[4-(2-pyridyloxymethyl)phenyl]methyl]-5-isoxazolyl]-2-pyridinamine
  • 3-[3-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
  • [3-[3-[4-(2-pyridyloxymethyl)benzyl]isoxazol-5-yl]-2-pyridyl]amine
InChIKey WSEKTEUGRLFBSE-UHFFFAOYSA-N
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