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

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Formula C21H27ClN2O3
IUPAC Name 5-[7-[2-chloro-4-[(4s)-4-methyl-4,5-dihydrooxazol-2-yl]phenoxy]heptyl]-3-methyl-isoxazole
Molecular Mass 390.904 g·mol−1
Heat of Formation -290.2 ± 16.7 kJ·mol−1
Dipole Moment 5.76 ± 1.08 D
Volume 474.7 Å 3
Surface Area 445.6 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy 2.46 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(7-(6-chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole
  • 5-[7-[2-chloro-4-[(4s)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]heptyl]-3-methyl-1,2-oxazole
  • 5-[7-[2-chloro-4-[(4s)-4-methyl-4,5-dihydrooxazol-2-yl]phenoxy]heptyl]-3-methyl-isoxazole
  • 5-[7-[2-chloro-4-[(4s)-4-methyl-4,5-dihydrooxazol-2-yl]phenoxy]heptyl]-3-methylisoxazole
  • w43
InChIKey WOJFAPUTPSWFLJ-INIZCTEOSA-N
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