ChemSpider 2D Image | 5-{[2-(2,4-Difluorophenyl)-2-(dimethylamino)ethyl]amino}-2-phenyl-1,3-oxazole-4-carbonitrile | C20H18F2N4O

5-{[2-(2,4-Difluorophenyl)-2-(dimethylamino)ethyl]amino}-2-phenyl-1,3-oxazole-4-carbonitrile

  • Molecular FormulaC20H18F2N4O
  • Average mass368.380 Da
  • Monoisotopic mass368.144867 Da
  • ChemSpider ID48055170

More details:

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

4-Oxazolecarbonitrile, 5-[[2-(2,4-difluorophenyl)-2-(dimethylamino)ethyl]amino]-2-phenyl- [ACD/Index Name]
5-{[2-(2,4-Difluorophenyl)-2-(dimethylamino)ethyl]amino}-2-phenyl-1,3-oxazole-4-carbonitrile [ACD/IUPAC Name]
5-{[2-(2,4-Difluorophényl)-2-(diméthylamino)éthyl]amino}-2-phényl-1,3-oxazole-4-carbonitrile [French] [ACD/IUPAC Name]
5-{[2-(2,4-Difluorphenyl)-2-(dimethylamino)ethyl]amino}-2-phenyl-1,3-oxazol-4-carbonitril [German] [ACD/IUPAC Name]
2108675-80-3 [RN]
5-[[2-(2,4-difluorophenyl)-2-(dimethylamino)ethyl]amino]-2-phenyl-1,3-oxazole-4-carbonitrile
5-[2-(2,4-Difluoro-phenyl)-2-dimethylamino-ethylamino]-2-phenyl-oxazole-4-carbonitrile

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

Density: 1.3±0.1 g/cm3
Boiling Point: 534.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 276.8±32.9 °C
Index of Refraction: 1.603
Molar Refractivity: 97.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 1.13
ACD/KOC (pH 5.5): 11.88
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 37.78
ACD/KOC (pH 7.4): 398.23
Polar Surface Area: 65 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 56.1±5.0 dyne/cm
Molar Volume: 283.3±5.0 cm3

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