ChemSpider 2D Image | 4-[4-(5-Fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]-4-oxo-N-(4-pyridinyl)butanamide | C21H21FN4O3

4-[4-(5-Fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]-4-oxo-N-(4-pyridinyl)butanamide

  • Molecular FormulaC21H21FN4O3
  • Average mass396.415 Da
  • Monoisotopic mass396.159760 Da
  • ChemSpider ID26037730

More details:






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

1-Piperidinebutanamide, 4-(5-fluoro-1,2-benzisoxazol-3-yl)-γ-oxo-N-4-pyridinyl- [ACD/Index Name]
4-[4-(5-Fluor-1,2-benzoxazol-3-yl)-1-piperidinyl]-4-oxo-N-(4-pyridinyl)butanamid [German] [ACD/IUPAC Name]
4-[4-(5-Fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]-4-oxo-N-(4-pyridinyl)butanamide [ACD/IUPAC Name]
4-[4-(5-Fluoro-1,2-benzoxazol-3-yl)-1-pipéridinyl]-4-oxo-N-(4-pyridinyl)butanamide [French] [ACD/IUPAC Name]
1219548-42-1 [RN]
4-[4-(5-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-4-oxo-N-4-pyridinylbutanamide
4-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-4-oxo-N-(pyridin-4-yl)butanamide
4-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-4-oxo-N-pyridin-4-ylbutanamide
4-[4-(5-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-4-oxo-N-pyridin-4-yl-butyramide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 693.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 373.0±31.5 °C
Index of Refraction: 1.632
Molar Refractivity: 105.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 4.50
ACD/KOC (pH 5.5): 65.88
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 20.14
ACD/KOC (pH 7.4): 294.76
Polar Surface Area: 88 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 63.1±3.0 dyne/cm
Molar Volume: 294.5±3.0 cm3

Click to predict properties on the Chemicalize site






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