ChemSpider 2D Image | 3-({2-[(2-Amino-6-methyl-4-pyrimidinyl)ethynyl]benzyl}amino)-1,3-oxazol-2(3H)-one | C17H15N5O2

3-({2-[(2-Amino-6-methyl-4-pyrimidinyl)ethynyl]benzyl}amino)-1,3-oxazol-2(3H)-one

  • Molecular FormulaC17H15N5O2
  • Average mass321.333 Da
  • Monoisotopic mass321.122589 Da
  • ChemSpider ID22376452

More details:

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

2(3H)-Oxazolone, 3-[[[2-[2-(2-amino-6-methyl-4-pyrimidinyl)ethynyl]phenyl]methyl]amino]- [ACD/Index Name]
3-({2-[(2-Amino-6-methyl-4-pyrimidinyl)ethinyl]benzyl}amino)-1,3-oxazol-2(3H)-on [German] [ACD/IUPAC Name]
3-({2-[(2-Amino-6-methyl-4-pyrimidinyl)ethynyl]benzyl}amino)-1,3-oxazol-2(3H)-one [ACD/IUPAC Name]
3-({2-[(2-Amino-6-méthyl-4-pyrimidinyl)éthynyl]benzyl}amino)-1,3-oxazol-2(3H)-one [French] [ACD/IUPAC Name]
3-({2-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)ETHYNYL]BENZYL}AMINO)-1,3-OXAZOL-2(3H)-ONE
3-[({2-[2-(2-amino-6-methylpyrimidin-4-yl)ethynyl]phenyl}methyl)amino]-1,3-oxazol-2-one
3-[({2-[2-(2-amino-6-methylpyrimidin-4-yl)ethynyl]phenyl}methyl)amino]-2,3-dihydro-1,3-oxazol-2-one
A91

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

Density: 1.4±0.1 g/cm3
Boiling Point: 594.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 313.0±32.9 °C
Index of Refraction: 1.703
Molar Refractivity: 88.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.89
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.80
ACD/KOC (pH 5.5): 215.60
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 12.84
ACD/KOC (pH 7.4): 216.37
Polar Surface Area: 93 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 83.6±5.0 dyne/cm
Molar Volume: 227.8±5.0 cm3

Click to predict properties on the Chemicalize site


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