ChemSpider 2D Image | (2R)-3-{4-[3-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl}-2-(2H-1,2,3-triazol-2-yl)propanoic acid | C24H24N4O3

(2R)-3-{4-[3-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl}-2-(2H-1,2,3-triazol-2-yl)propanoic acid

  • Molecular FormulaC24H24N4O3
  • Average mass416.472 Da
  • Monoisotopic mass416.184845 Da
  • ChemSpider ID24646315

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R)-3-{4-[3-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl}-2-(2H-1,2,3-triazol-2-yl)propanoic acid [ACD/IUPAC Name]
(2R)-3-{4-[3-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl}-2-(2H-1,2,3-triazol-2-yl)propansäure [German] [ACD/IUPAC Name]
2H-1,2,3-Triazole-2-acetic acid, α-[[4-[3-(5-methyl-2-phenyl-4-oxazolyl)propyl]phenyl]methyl]-, (αR)- [ACD/Index Name]
Acide (2R)-3-{4-[3-(5-méthyl-2-phényl-1,3-oxazol-4-yl)propyl]phényl}-2-(2H-1,2,3-triazol-2-yl)propanoïque [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 629.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 334.4±34.3 °C
Index of Refraction: 1.641
Molar Refractivity: 119.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 8.45
ACD/KOC (pH 5.5): 39.21
ACD/LogD (pH 7.4): 0.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.48
Polar Surface Area: 94 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 50.3±7.0 dyne/cm
Molar Volume: 329.7±7.0 cm3

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