ChemSpider 2D Image | (2S)-3-{4-[3-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl}-2-(1H-pyrrol-1-yl)propanoic acid | C26H26N2O3

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

  • Molecular FormulaC26H26N2O3
  • Average mass414.496 Da
  • Monoisotopic mass414.194336 Da
  • ChemSpider ID24696655

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-{4-[3-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl}-2-(1H-pyrrol-1-yl)propanoic acid [ACD/IUPAC Name]
(2S)-3-{4-[3-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl}-2-(1H-pyrrol-1-yl)propansäure [German] [ACD/IUPAC Name]
1H-Pyrrole-1-acetic acid, α-[[4-[3-(5-methyl-2-phenyl-4-oxazolyl)propyl]phenyl]methyl]-, (αS)- [ACD/Index Name]
Acide (2S)-3-{4-[3-(5-méthyl-2-phényl-1,3-oxazol-4-yl)propyl]phényl}-2-(1H-pyrrol-1-yl)propanoïque [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL477095/
L92

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

Density: 1.2±0.1 g/cm3
Boiling Point: 604.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 319.3±34.3 °C
Index of Refraction: 1.609
Molar Refractivity: 122.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.81
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 4.03
ACD/KOC (pH 5.5): 15.62
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.74
Polar Surface Area: 68 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 45.6±7.0 dyne/cm
Molar Volume: 352.5±7.0 cm3

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