ChemSpider 2D Image | (2-Fluoro-5-methoxyphenyl){[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl](methyl)amino}acetic acid | C16H20FN3O4

(2-Fluoro-5-methoxyphenyl){[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl](methyl)amino}acetic acid

  • Molecular FormulaC16H20FN3O4
  • Average mass337.346 Da
  • Monoisotopic mass337.143799 Da
  • ChemSpider ID29506625

More details:

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

(2-Fluor-5-methoxyphenyl){[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl](methyl)amino}essigsäure [German] [ACD/IUPAC Name]
(2-Fluoro-5-methoxyphenyl){[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl](methyl)amino}acetic acid [ACD/IUPAC Name]
Acide (2-fluoro-5-méthoxyphényl){[(3-isopropyl-1,2,4-oxadiazol-5-yl)méthyl](méthyl)amino}acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 2-fluoro-5-methoxy-α-[methyl[[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]- [ACD/Index Name]
(2-fluoro-5-methoxyphenyl)[[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl](methyl)amino]acetic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 468.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 236.9±31.5 °C
Index of Refraction: 1.545
Molar Refractivity: 84.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.60
ACD/LogD (pH 7.4): -1.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 89 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 266.1±3.0 cm3

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