(2S)-3-{2-[(5-Methyl-2-Phenyl-1,3-Oxazol-4-Yl)Methyl]-1-Benzofuran-5-Yl}-2-(Propylsulfanyl)Propanoic Acid

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Properties Simple | Detailed

Formula C25H25NO4S
IUPAC Name (2s)-3-[2-[(5-methyl-2-phenyl-oxazol-4-yl)methyl]benzofuran-5-yl]-2-propylsulfanyl-propanoic acid
Molecular Mass 435.535 g·mol−1
Heat of Formation -391.5 ± 16.7 kJ·mol−1
Dipole Moment 4.28 ± 1.08 D
Volume 514.89 Å 3
Surface Area 454.49 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-2-propylsulfanyl-propanoic acid
  • (2s)-3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-2-propylsulfanylpropanoic acid
  • (2s)-3-[2-[(5-methyl-2-phenyl-4-oxazolyl)methyl]-5-benzofuranyl]-2-(propylthio)propanoic acid
  • (2s)-3-[2-[(5-methyl-2-phenyl-oxazol-4-yl)methyl]benzofuran-5-yl]-2-(propylthio)propionic acid
  • (2s)-3-[2-[(5-methyl-2-phenyl-oxazol-4-yl)methyl]benzofuran-5-yl]-2-propylsulfanyl-propanoic acid
InChIKey JWYZUNXLVDVFIH-QHCPKHFHSA-N
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