(2S)-2-Methyl-3-(4-{2-[5-Methyl-2-(2-Thienyl)-1,3-Oxazol-4-Yl]Ethoxy}Phenyl)-2-Phenoxypropanoic Acid

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Properties Simple | Detailed

Formula C25H30NO5S
IUPAC Name (2s)-2-methyl-3-[4-[2-[5-methyl-2-(1-sulfanylpropyl)-5h-oxazol-3-ium-4-yl]ethoxy]phenyl]-2-phenoxy-propanoate
Molecular Mass 456.574 g·mol−1
Heat of Formation -480.7 ± 16.7 kJ·mol−1
Dipole Moment 3.36 ± 1.08 D
Volume 543.12 Å 3
Surface Area 470.8 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy 2.00 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-methyl-3-[4-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-(phenoxy)propanoic acid
  • (2s)-2-methyl-3-[4-[2-[5-methyl-2-(2-thienyl)-4-oxazolyl]ethoxy]phenyl]-2-(phenoxy)propanoic acid
  • (2s)-2-methyl-3-[4-[2-[5-methyl-2-(2-thienyl)oxazol-4-yl]ethoxy]phenyl]-2-(phenoxy)propanoic acid
  • (2s)-2-methyl-3-[4-[2-[5-methyl-2-(2-thienyl)oxazol-4-yl]ethoxy]phenyl]-2-(phenoxy)propionic acid
  • ly-510929
  • ly-929
InChIKey KWSPYUOBNIMILB-SANMLTNESA-N
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