ChemSpider 2D Image | (4R)-3-[2-({1-[3-(4-Fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl}amino)-4-pyrimidinyl]-4-{(1R)-1-[(2-methyl-2-propanyl)oxy]ethyl}-1,3-oxazolidin-2-one | C24H29FN6O4

(4R)-3-[2-({1-[3-(4-Fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl}amino)-4-pyrimidinyl]-4-{(1R)-1-[(2-methyl-2-propanyl)oxy]ethyl}-1,3-oxazolidin-2-one

  • Molecular FormulaC24H29FN6O4
  • Average mass484.523 Da
  • Monoisotopic mass484.223419 Da
  • ChemSpider ID76797320

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(4R)-3-[2-({1-[3-(4-Fluor-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl}amino)-4-pyrimidinyl]-4-{(1R)-1-[(2-methyl-2-propanyl)oxy]ethyl}-1,3-oxazolidin-2-on [German] [ACD/IUPAC Name]
(4R)-3-[2-({1-[3-(4-Fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl}amino)-4-pyrimidinyl]-4-{(1R)-1-[(2-methyl-2-propanyl)oxy]ethyl}-1,3-oxazolidin-2-one [ACD/IUPAC Name]
(4R)-3-[2-({1-[3-(4-Fluoro-3-méthylphényl)-1,2,4-oxadiazol-5-yl]éthyl}amino)-4-pyrimidinyl]-4-{(1R)-1-[(2-méthyl-2-propanyl)oxy]éthyl}-1,3-oxazolidin-2-one [French] [ACD/IUPAC Name]
2-Oxazolidinone, 4-[(1R)-1-(1,1-dimethylethoxy)ethyl]-3-[2-[[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-4-pyrimidinyl]-, (4R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 615.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 325.9±34.3 °C
Index of Refraction: 1.580
Molar Refractivity: 125.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 1135.29
ACD/KOC (pH 5.5): 5322.66
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1156.51
ACD/KOC (pH 7.4): 5422.16
Polar Surface Area: 116 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 378.4±3.0 cm3

Click to predict properties on the Chemicalize site


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