ChemSpider 2D Image | [3-(5-{(2S,3S)-2-[1-(2-Methoxyethyl)-1H-pyrazol-4-yl]tetrahydro-3-furanyl}-1,2,4-oxadiazol-3-yl)phenyl]boronic acid | C18H21BN4O5

[3-(5-{(2S,3S)-2-[1-(2-Methoxyethyl)-1H-pyrazol-4-yl]tetrahydro-3-furanyl}-1,2,4-oxadiazol-3-yl)phenyl]boronic acid

  • Molecular FormulaC18H21BN4O5
  • Average mass384.194 Da
  • Monoisotopic mass384.160492 Da
  • ChemSpider ID72981409

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[3-(5-{(2S,3S)-2-[1-(2-Methoxyethyl)-1H-pyrazol-4-yl]tetrahydro-3-furanyl}-1,2,4-oxadiazol-3-yl)phenyl]boronic acid [ACD/IUPAC Name]
[3-(5-{(2S,3S)-2-[1-(2-Methoxyethyl)-1H-pyrazol-4-yl]tetrahydro-3-furanyl}-1,2,4-oxadiazol-3-yl)phenyl]borsäure [German] [ACD/IUPAC Name]
Acide [3-(5-{(2S,3S)-2-[1-(2-méthoxyéthyl)-1H-pyrazol-4-yl]tétrahydro-3-furanyl}-1,2,4-oxadiazol-3-yl)phényl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[3-[5-[(2S,3S)-tetrahydro-2-[1-(2-methoxyethyl)-1H-pyrazol-4-yl]-3-furanyl]-1,2,4-oxadiazol-3-yl]phenyl]- [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: 653.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 348.8±34.3 °C
Index of Refraction: 1.650
Molar Refractivity: 98.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.39
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 11.84
ACD/KOC (pH 5.5): 202.35
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 3.55
ACD/KOC (pH 7.4): 60.76
Polar Surface Area: 116 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 54.6±7.0 dyne/cm
Molar Volume: 271.2±7.0 cm3

Click to predict properties on the Chemicalize site


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