ChemSpider 2D Image | 1-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidine | C14H21N5O3S

1-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidine

  • Molecular FormulaC14H21N5O3S
  • Average mass339.413 Da
  • Monoisotopic mass339.136505 Da
  • ChemSpider ID29623538

More details:

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

1-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidin [German] [ACD/IUPAC Name]
1-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidine [ACD/IUPAC Name]
1-[(3,5-Diméthyl-1,2-oxazol-4-yl)sulfonyl]-4-[(4-méthyl-4H-1,2,4-triazol-3-yl)méthyl]pipéridine [French] [ACD/IUPAC Name]
Piperidine, 1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]- [ACD/Index Name]
1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-4-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 568.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 297.7±32.9 °C
Index of Refraction: 1.673
Molar Refractivity: 87.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.16
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 3.66
ACD/KOC (pH 5.5): 87.79
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 3.69
ACD/KOC (pH 7.4): 88.69
Polar Surface Area: 103 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 56.1±7.0 dyne/cm
Molar Volume: 232.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement