Isoxazole, 5-(7-(4-(4,5-Dihydro-4-Methyl-2-Oxazolyl)Phenoxy)Heptyl)-3-Methyl-, (S)-

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Properties Simple | Detailed

Formula C21H28N2O3
IUPAC Name 3-methyl-5-[7-[4-[(4s)-4-methyl-4,5-dihydrooxazol-2-yl]phenoxy]heptyl]isoxazole
Molecular Mass 356.459 g·mol−1
Heat of Formation -260.7 ± 16.7 kJ·mol−1
Dipole Moment 2.21 ± 1.08 D
Volume 454.29 Å 3
Surface Area 430.2 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
Synonyms
  • 3-methyl-5-[7-[4-[(4s)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]heptyl]-1,2-oxazole
  • 3-methyl-5-[7-[4-[(4s)-4-methyl-4,5-dihydrooxazol-2-yl]phenoxy]heptyl]isoxazole
  • 5-(7-(4-(4,5-dihydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole
  • 5-(7-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole
  • isoxazole, 5-[7-[4-[(4s)-4,5-dihydro-4-methyl-2-oxazolyl]phenoxy]heptyl]-3-methyl-
  • w84
  • win-52084
CAS Number(s)
  • 98102-61-5
InChIKey NEAZMARKCJKUMF-KRWDZBQOSA-N
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