ChemSpider 2D Image | 1-(5-Methyl-1,2-oxazol-3-yl)-3-{2-[4-(methylsulfonyl)-1-piperazinyl]ethyl}urea | C12H21N5O4S

1-(5-Methyl-1,2-oxazol-3-yl)-3-{2-[4-(methylsulfonyl)-1-piperazinyl]ethyl}urea

  • Molecular FormulaC12H21N5O4S
  • Average mass331.391 Da
  • Monoisotopic mass331.131439 Da
  • ChemSpider ID30079649

More details:

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

1-(5-Methyl-1,2-oxazol-3-yl)-3-{2-[4-(methylsulfonyl)-1-piperazinyl]ethyl}harnstoff [German] [ACD/IUPAC Name]
1-(5-Methyl-1,2-oxazol-3-yl)-3-{2-[4-(methylsulfonyl)-1-piperazinyl]ethyl}urea [ACD/IUPAC Name]
1-(5-Méthyl-1,2-oxazol-3-yl)-3-{2-[4-(méthylsulfonyl)-1-pipérazinyl]éthyl}urée [French] [ACD/IUPAC Name]
Urea, N-(5-methyl-3-isoxazolyl)-N'-[2-[4-(methylsulfonyl)-1-piperazinyl]ethyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.592
Molar Refractivity: 80.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.76
ACD/LogD (pH 5.5): -0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.64
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.15
Polar Surface Area: 116 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 65.3±5.0 dyne/cm
Molar Volume: 238.5±5.0 cm3

Click to predict properties on the Chemicalize site


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