ChemSpider 2D Image | 2-[(4-Chlorophenoxy)methyl]-5-({2-(diethylamino)-2-[4-(2-methyl-2-propanyl)phenyl]ethyl}amino)-1,3-oxazole-4-carbonitrile | C27H33ClN4O2

2-[(4-Chlorophenoxy)methyl]-5-({2-(diethylamino)-2-[4-(2-methyl-2-propanyl)phenyl]ethyl}amino)-1,3-oxazole-4-carbonitrile

  • Molecular FormulaC27H33ClN4O2
  • Average mass481.030 Da
  • Monoisotopic mass480.229218 Da
  • ChemSpider ID21792462

More details:

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

2-[(4-Chlorophenoxy)methyl]-5-({2-(diethylamino)-2-[4-(2-methyl-2-propanyl)phenyl]ethyl}amino)-1,3-oxazole-4-carbonitrile [ACD/IUPAC Name]
2-[(4-Chlorophénoxy)méthyl]-5-({2-(diéthylamino)-2-[4-(2-méthyl-2-propanyl)phényl]éthyl}amino)-1,3-oxazole-4-carbonitrile [French] [ACD/IUPAC Name]
2-[(4-Chlorphenoxy)methyl]-5-({2-(diethylamino)-2-[4-(2-methyl-2-propanyl)phenyl]ethyl}amino)-1,3-oxazol-4-carbonitril [German] [ACD/IUPAC Name]
4-Oxazolecarbonitrile, 2-[(4-chlorophenoxy)methyl]-5-[[2-(diethylamino)-2-[4-(1,1-dimethylethyl)phenyl]ethyl]amino]- [ACD/Index Name]
5-({2-(diethylamino)-2-[4-(tert-butyl)phenyl]ethyl}amino)-2-[(4-chlorophenoxy)methyl]-1,3-oxazole-4-carbonitrile
5-[[2-(4-tert-butylphenyl)-2-(diethylamino)ethyl]amino]-2-[(4-chlorophenoxy)methyl]-1,3-oxazole-4-carbonitrile
5-{[2-(4-tert-butylphenyl)-2-(diethylamino)ethyl]amino}-2-[(4-chlorophenoxy)methyl]-1,3-oxazole-4-carbonitrile

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

Density: 1.2±0.1 g/cm3
Boiling Point: 626.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 332.4±31.5 °C
Index of Refraction: 1.588
Molar Refractivity: 136.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 6.92
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 21.82
ACD/KOC (pH 5.5): 44.90
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 419.51
ACD/KOC (pH 7.4): 863.39
Polar Surface Area: 74 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 404.0±5.0 cm3

Click to predict properties on the Chemicalize site


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