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

Molecule SVG Image

Properties Simple | Detailed

Formula C24H24N4O3
IUPAC Name (2s)-2-(1-aza-2-azonia-3-azanidacyclopenta-1,4-dien-2-yl)-3-[4-[3-(5-methyl-2-phenyl-oxazol-4-yl)propyl]phenyl]propanoic acid
Molecular Mass 416.472 g·mol−1
Heat of Formation -10.0 ± 16.7 kJ·mol−1
Dipole Moment 2.82 ± 1.08 D
Volume 512.67 Å 3
Surface Area 443.89 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy 2.42 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-3-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]-2-(1,2,3-triazol-2-yl)propanoic acid
  • (2s)-3-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]-2-(triazol-2-yl)propanoic acid
  • (2s)-3-[4-[3-(5-methyl-2-phenyl-4-oxazolyl)propyl]phenyl]-2-(2-triazolyl)propanoic acid
  • (2s)-3-[4-[3-(5-methyl-2-phenyl-oxazol-4-yl)propyl]phenyl]-2-(triazol-2-yl)propanoic acid
  • (2s)-3-[4-[3-(5-methyl-2-phenyl-oxazol-4-yl)propyl]phenyl]-2-(triazol-2-yl)propionic acid
InChIKey MBNINRCJDJMURD-QFIPXVFZSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N