ChemSpider 2D Image | 2-(4-Butylcyclohexyl)-5-({2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl}amino)-1,3-oxazole-4-carbonitrile | C26H39N5O

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

  • Molecular FormulaC26H39N5O
  • Average mass437.621 Da
  • Monoisotopic mass437.315460 Da
  • ChemSpider ID21623512

More details:

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

2-(4-Butylcyclohexyl)-5-({2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl}amino)-1,3-oxazol-4-carbonitril [German] [ACD/IUPAC Name]
2-(4-Butylcyclohexyl)-5-({2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl}amino)-1,3-oxazole-4-carbonitrile [ACD/IUPAC Name]
2-(4-Butylcyclohexyl)-5-({2-(diméthylamino)-2-[4-(diméthylamino)phényl]éthyl}amino)-1,3-oxazole-4-carbonitrile [French] [ACD/IUPAC Name]
4-Oxazolecarbonitrile, 2-(4-butylcyclohexyl)-5-[[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]amino]- [ACD/Index Name]
1147213-73-7 [RN]
2-(4-butylcyclohexyl)-5-[[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]amino]-1,3-oxazole-4-carbonitrile

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

Density: 1.1±0.1 g/cm3
Boiling Point: 599.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 316.5±30.1 °C
Index of Refraction: 1.566
Molar Refractivity: 129.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.12
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 4.50
ACD/KOC (pH 5.5): 16.59
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 189.46
ACD/KOC (pH 7.4): 698.30
Polar Surface Area: 68 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 397.6±5.0 cm3

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