(S)-5-(7-(4-(4-Ethyl-4,5-Dihydro-2-Oxazolyl)Phenoxy)Heptyl)-3-Methylisoxazole

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Properties Simple | Detailed

Formula C22H30N2O3
IUPAC Name 5-[7-[4-[(4s)-4-ethyl-4,5-dihydrooxazol-2-yl]phenoxy]heptyl]-3-methyl-isoxazole
Molecular Mass 370.485 g·mol−1
Heat of Formation -279.7 ± 16.7 kJ·mol−1
Dipole Moment 3.53 ± 1.08 D
Volume 471.39 Å 3
Surface Area 447.99 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(7-(4-(4-ethyl-4,5-dihydro-2-oxazolyl)phenoly)heptyl)-3-methylisoxazole
  • 5-(7-(5-hydro-4-ethyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole
  • 5-[7-[4-[(4s)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]heptyl]-3-methyl-1,2-oxazole
  • 5-[7-[4-[(4s)-4-ethyl-4,5-dihydrooxazol-2-yl]phenoxy]heptyl]-3-methyl-isoxazole
  • 5-[7-[4-[(4s)-4-ethyl-4,5-dihydrooxazol-2-yl]phenoxy]heptyl]-3-methylisoxazole
  • isoxazole, 5-(7-(4-(4-ethyl-4,5-dihydro-2-oxazolyl)phenoxy)heptyl)-3-methyl-, (s)-
  • isoxazole, 5-[7-[4-[(4s)-4-ethyl-4,5-dihydro-2-oxazolyl]phenoxy]heptyl]-3-methyl-
  • w59
  • win 56590
  • win-56590
CAS Number(s)
  • 112270-39-0
InChIKey PZDSRPCFNWOUFP-IBGZPJMESA-N
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