(5-{3-[2-(5-Methyl-2-Phenyl-1,3-Oxazol-4-Yl)Ethoxy]Benzyl}-2-Phenyl-2H-1,2,3-Triazol-4-Yl)Acetic Acid

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Properties Simple | Detailed

Formula C29H26N4O4
IUPAC Name 2-[5-[[3-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]phenyl]methyl]-2-phenyl-3-aza-2-azonia-1-azanidacyclopenta-2,4-dien-4-yl]acetic acid
Molecular Mass 494.541 g·mol−1
Heat of Formation -51.2 ± 16.7 kJ·mol−1
Dipole Moment 2.81 ± 1.08 D
Volume 585.81 Å 3
Surface Area 507.53 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 2.27 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[5-[3-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]benzyl]-2-phenyl-triazol-4-yl]acetic acid
  • 2-[5-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-2-phenyl-1,2,3-triazol-4-yl]ethanoic acid
  • 2-[5-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-2-phenyltriazol-4-yl]acetic acid
  • 2-[5-[[3-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]methyl]-2-phenyl-4-triazolyl]acetic acid
  • 2-[5-[[3-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]phenyl]methyl]-2-phenyl-triazol-4-yl]acetic acid
InChIKey QIGYDDWEDSMCSH-UHFFFAOYSA-N
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