ChemSpider 2D Image | (3-{3-[1-(Methylsulfonyl)-4-piperidinyl]-1,2,4-oxadiazol-5-yl}-1-azetidinyl)(4-morpholinyl)methanone | C16H25N5O5S

(3-{3-[1-(Methylsulfonyl)-4-piperidinyl]-1,2,4-oxadiazol-5-yl}-1-azetidinyl)(4-morpholinyl)methanone

  • Molecular FormulaC16H25N5O5S
  • Average mass399.465 Da
  • Monoisotopic mass399.157654 Da
  • ChemSpider ID71071945

More details:






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

(3-{3-[1-(Methylsulfonyl)-4-piperidinyl]-1,2,4-oxadiazol-5-yl}-1-azetidinyl)(4-morpholinyl)methanon [German] [ACD/IUPAC Name]
(3-{3-[1-(Methylsulfonyl)-4-piperidinyl]-1,2,4-oxadiazol-5-yl}-1-azetidinyl)(4-morpholinyl)methanone [ACD/IUPAC Name]
(3-{3-[1-(Méthylsulfonyl)-4-pipéridinyl]-1,2,4-oxadiazol-5-yl}-1-azétidinyl)(4-morpholinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [3-[3-[1-(methylsulfonyl)-4-piperidinyl]-1,2,4-oxadiazol-5-yl]-1-azetidinyl]-4-morpholinyl- [ACD/Index Name]
(3-{3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}-1-azetanyl)(morpholino)methanone

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

Density: 1.5±0.1 g/cm3
Boiling Point: 603.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 318.8±34.3 °C
Index of Refraction: 1.619
Molar Refractivity: 95.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.99
ACD/LogD (pH 5.5): -0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.61
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.61
Polar Surface Area: 117 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 73.7±5.0 dyne/cm
Molar Volume: 273.3±5.0 cm3

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