ChemSpider 2D Image | 4-[(2-Chloro-5-fluorobenzyl)oxy]-N-(3-pyridinyl)-1,2-benzoxazol-3-amine | C19H13ClFN3O2

4-[(2-Chloro-5-fluorobenzyl)oxy]-N-(3-pyridinyl)-1,2-benzoxazol-3-amine

  • Molecular FormulaC19H13ClFN3O2
  • Average mass369.777 Da
  • Monoisotopic mass369.068024 Da
  • ChemSpider ID72379968

More details:

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

1,2-Benzisoxazol-3-amine, 4-[(2-chloro-5-fluorophenyl)methoxy]-N-3-pyridinyl- [ACD/Index Name]
2241838-28-6 [RN]
4-[(2-Chlor-5-fluorbenzyl)oxy]-N-(3-pyridinyl)-1,2-benzoxazol-3-amin [German] [ACD/IUPAC Name]
4-[(2-Chloro-5-fluorobenzyl)oxy]-N-(3-pyridinyl)-1,2-benzoxazol-3-amine [ACD/IUPAC Name]
4-[(2-Chloro-5-fluorobenzyl)oxy]-N-(3-pyridinyl)-1,2-benzoxazol-3-amine [French] [ACD/IUPAC Name]
4-[(2-chloro-5-fluorophenyl)methoxy]-N-(pyridin-3-yl)-1,2-benzoxazol-3-amine
4-[(2-chloro-5-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
SMS2-IN-2
sphingomyelin synthase 2 inhibitor 15w

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

Density: 1.4±0.1 g/cm3
Boiling Point: 565.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 295.9±28.7 °C
Index of Refraction: 1.679
Molar Refractivity: 98.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 5.04
ACD/BCF (pH 5.5): 3840.91
ACD/KOC (pH 5.5): 12296.53
ACD/LogD (pH 7.4): 5.10
ACD/BCF (pH 7.4): 4419.24
ACD/KOC (pH 7.4): 14148.02
Polar Surface Area: 60 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 58.6±3.0 dyne/cm
Molar Volume: 259.7±3.0 cm3

Click to predict properties on the Chemicalize site


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