ChemSpider 2D Image | 1-[2-(2,4-Difluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3,4-dimethoxybenzyl)-N-methylmethanamine | C21H22F2N2O3

1-[2-(2,4-Difluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3,4-dimethoxybenzyl)-N-methylmethanamine

  • Molecular FormulaC21H22F2N2O3
  • Average mass388.408 Da
  • Monoisotopic mass388.159851 Da
  • ChemSpider ID22223965

More details:

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

1-[2-(2,4-Difluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3,4-dimethoxybenzyl)-N-methylmethanamine [ACD/IUPAC Name]
1-[2-(2,4-Difluorophényl)-5-méthyl-1,3-oxazol-4-yl]-N-(3,4-diméthoxybenzyl)-N-méthylméthanamine [French] [ACD/IUPAC Name]
1-[2-(2,4-Difluorphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3,4-dimethoxybenzyl)-N-methylmethanamin [German] [ACD/IUPAC Name]
4-Oxazolemethanamine, 2-(2,4-difluorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N,5-dimethyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 466.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.9±3.0 kJ/mol
Flash Point: 236.2±31.5 °C
Index of Refraction: 1.548
Molar Refractivity: 101.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 54.84
ACD/KOC (pH 5.5): 405.23
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 224.20
ACD/KOC (pH 7.4): 1656.63
Polar Surface Area: 48 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 320.7±3.0 cm3

Click to predict properties on the Chemicalize site


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