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

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Properties Simple | Detailed

Formula C21H28N2O3
IUPAC Name 3-methyl-5-[7-[4-[(4r)-4-methyl-4,5-dihydrooxazol-2-yl]phenoxy]heptyl]isoxazole
Molecular Mass 356.459 g·mol−1
Heat of Formation -260.4 ± 16.7 kJ·mol−1
Dipole Moment 2.39 ± 1.08 D
Volume 452.03 Å 3
Surface Area 429.12 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 2.75 ± eV
Point Group Symmetry C1
Synonyms
  • 3-methyl-5-[7-[4-[(4r)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]heptyl]-1,2-oxazole
  • 3-methyl-5-[7-[4-[(4r)-4-methyl-4,5-dihydrooxazol-2-yl]phenoxy]heptyl]isoxazole
  • isoxazole, 5-[7-[4-[(4r)-4,5-dihydro-4-methyl-2-oxazolyl]phenoxy]heptyl]-3-methyl-
  • w8r
CAS Number(s)
  • 98524-87-9
InChIKey NEAZMARKCJKUMF-QGZVFWFLSA-N
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