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Search term: XXUFUWPNNRKZBZ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 5-({2-(Diethylamino)-2-[4-(2-methyl-2-propanyl)phenyl]ethyl}amino)-2-(3-pyridinyl)-1,3-oxazole-4-carbonitrile | C25H31N5O

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

  • Molecular FormulaC25H31N5O
  • Average mass417.547 Da
  • Monoisotopic mass417.252869 Da
  • ChemSpider ID21792959

More details:

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

4-Oxazolecarbonitrile, 5-[[2-(diethylamino)-2-[4-(1,1-dimethylethyl)phenyl]ethyl]amino]-2-(3-pyridinyl)- [ACD/Index Name]
5-({2-(Diethylamino)-2-[4-(2-methyl-2-propanyl)phenyl]ethyl}amino)-2-(3-pyridinyl)-1,3-oxazol-4-carbonitril [German] [ACD/IUPAC Name]
5-({2-(Diethylamino)-2-[4-(2-methyl-2-propanyl)phenyl]ethyl}amino)-2-(3-pyridinyl)-1,3-oxazole-4-carbonitrile [ACD/IUPAC Name]
5-({2-(Diéthylamino)-2-[4-(2-méthyl-2-propanyl)phényl]éthyl}amino)-2-(3-pyridinyl)-1,3-oxazole-4-carbonitrile [French] [ACD/IUPAC Name]
5-({2-(diethylamino)-2-[4-(tert-butyl)phenyl]ethyl}amino)-2-(3-pyridyl)-1,3-oxazole-4-carbonitrile
5-[[2-(4-tert-butylphenyl)-2-(diethylamino)ethyl]amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile
5-{[2-(4-tert-butylphenyl)-2-(diethylamino)ethyl]amino}-2-(pyridin-3-yl)-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: 604.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 319.3±34.3 °C
Index of Refraction: 1.589
Molar Refractivity: 122.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.68
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 8.39
ACD/KOC (pH 7.4): 53.00
Polar Surface Area: 78 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 55.0±5.0 dyne/cm
Molar Volume: 364.0±5.0 cm3

Click to predict properties on the Chemicalize site


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