5-{7-[4-(4,5-Dihydro-1,3-Oxazol-2-Yl)Phenoxy]Heptyl}-3-Methyl-1,2-Oxazole

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Properties Simple | Detailed

Formula C20H26N2O3
IUPAC Name 5-[7-[4-(4,5-dihydrooxazol-2-yl)phenoxy]heptyl]-3-methyl-isoxazole
Molecular Mass 342.432 g·mol−1
Heat of Formation -232.8 ± 16.7 kJ·mol−1
Dipole Moment 2.53 ± 1.08 D
Volume 431.83 Å 3
Surface Area 411.41 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
Synonyms
  • 3-methyl-5-(7-(p-2-oxazolin-2-ylphenoxy)heptyl)isoxazole
  • 5-(7-(4-(4,5-dihydro-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole
  • 5-(7-(4-(4,5-dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole
  • 5-[7-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]heptyl]-3-methyl-1,2-oxazole
  • 5-[7-[4-(4,5-dihydrooxazol-2-yl)phenoxy]heptyl]-3-methylisoxazole
  • compound iv
  • d03874
  • disoxaril
  • disoxaril (usan)
  • disoxarilo [spanish]
  • disoxarilum [latin]
  • isoxazole, 5-(7-(4-(4,5-dihydro-2-oxazolyl)phenoxy)heptyl)-3-methyl-
  • isoxazole, 5-[7-[4-(4,5-dihydro-2-oxazolyl)phenoxy]heptyl]-3-methyl-
  • w71
  • win 51711
CAS Number(s)
  • 87495-31-6
InChIKey FKLJPTJMIBLJAV-UHFFFAOYSA-N
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