(2S)-3-(1-{[2-(2-Chlorophenyl)-5-Methyl-1,3-Oxazol-4-Yl]Methyl}-1H-Indol-5-Yl)-2-Ethoxypropanoic Acid

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Properties Simple | Detailed

Formula C24H23ClN2O4
IUPAC Name (2s)-3-[1-[[2-(2-chlorophenyl)-5-methyl-oxazol-4-yl]methyl]-3h-indol-1-ium-3-id-5-yl]-2-ethoxy-propanoic acid
Molecular Mass 438.903 g·mol−1
Heat of Formation -405.9 ± 16.7 kJ·mol−1
Dipole Moment 4.58 ± 1.08 D
Volume 505.68 Å 3
Surface Area 401.66 Å 2
HOMO Energy -8.32 ± 0.55 eV
LUMO Energy 2.38 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-3-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]indol-5-yl]-2-ethoxy-propanoic acid
  • (2s)-3-[1-[[2-(2-chlorophenyl)-5-methyl-4-oxazolyl]methyl]-5-indolyl]-2-ethoxypropanoic acid
  • (2s)-3-[1-[[2-(2-chlorophenyl)-5-methyl-oxazol-4-yl]methyl]indol-5-yl]-2-ethoxy-propanoic acid
  • (2s)-3-[1-[[2-(2-chlorophenyl)-5-methyl-oxazol-4-yl]methyl]indol-5-yl]-2-ethoxy-propionic acid
InChIKey PAWOPJKHTZCKMT-QFIPXVFZSA-N
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