ChemSpider 2D Image | [3-(2-{[2-Methyl-5-(methylsulfonyl)-4-pyrimidinyl]amino}ethyl)-1,2,4-oxadiazol-5-yl]methanol | C11H15N5O4S

[3-(2-{[2-Methyl-5-(methylsulfonyl)-4-pyrimidinyl]amino}ethyl)-1,2,4-oxadiazol-5-yl]methanol

  • Molecular FormulaC11H15N5O4S
  • Average mass313.333 Da
  • Monoisotopic mass313.084473 Da
  • ChemSpider ID29475042

More details:

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

[3-(2-{[2-Methyl-5-(methylsulfonyl)-4-pyrimidinyl]amino}ethyl)-1,2,4-oxadiazol-5-yl]methanol [German] [ACD/IUPAC Name]
[3-(2-{[2-Methyl-5-(methylsulfonyl)-4-pyrimidinyl]amino}ethyl)-1,2,4-oxadiazol-5-yl]methanol [ACD/IUPAC Name]
[3-(2-{[2-Méthyl-5-(méthylsulfonyl)-4-pyrimidinyl]amino}éthyl)-1,2,4-oxadiazol-5-yl]méthanol [French] [ACD/IUPAC Name]
1,2,4-Oxadiazole-5-methanol, 3-[2-[[2-methyl-5-(methylsulfonyl)-4-pyrimidinyl]amino]ethyl]- [ACD/Index Name]
[3-(2-{[2-methyl-5-(methylsulfonyl)pyrimidin-4-yl]amino}ethyl)-1,2,4-oxadiazol-5-yl]methanol

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

Density: 1.5±0.1 g/cm3
Boiling Point: 626.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 333.0±34.3 °C
Index of Refraction: 1.592
Molar Refractivity: 72.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.73
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.91
ACD/LogD (pH 7.4): -0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.95
Polar Surface Area: 139 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 77.9±3.0 dyne/cm
Molar Volume: 213.7±3.0 cm3

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