ChemSpider 2D Image | (5-Chloro-2-methoxyphenyl){3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]-1-pyrrolidinyl}methanone | C17H17ClN6O3

(5-Chloro-2-methoxyphenyl){3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]-1-pyrrolidinyl}methanone

  • Molecular FormulaC17H17ClN6O3
  • Average mass388.808 Da
  • Monoisotopic mass388.105072 Da
  • ChemSpider ID35299875

More details:

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

(5-Chlor-2-methoxyphenyl){3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]-1-pyrrolidinyl}methanon [German] [ACD/IUPAC Name]
(5-Chloro-2-methoxyphenyl){3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]-1-pyrrolidinyl}methanone [ACD/IUPAC Name]
(5-Chloro-2-méthoxyphényl){3-[4-(3-méthyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]-1-pyrrolidinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, (5-chloro-2-methoxyphenyl)[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]-1-pyrrolidinyl]- [ACD/Index Name]
1775414-62-4 [RN]
5-{1-[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-3-yl]-1H-1,2,3-triazol-4-yl}-3-methyl-1,2,4-oxadiazole

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

Density: 1.6±0.1 g/cm3
Boiling Point: 653.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 349.1±34.3 °C
Index of Refraction: 1.718
Molar Refractivity: 98.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.84
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 8.86
ACD/KOC (pH 5.5): 165.90
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 8.86
ACD/KOC (pH 7.4): 165.90
Polar Surface Area: 99 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 59.9±7.0 dyne/cm
Molar Volume: 250.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement