ChemSpider 2D Image | 3-Methyl-5-(3-pyrrolidinyl)-1,2,4-oxadiazole | C7H11N3O


  • Molecular FormulaC7H11N3O
  • Average mass153.182 Da
  • Monoisotopic mass153.090210 Da
  • ChemSpider ID21242682

More details:

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

1,2,4-Oxadiazole, 3-methyl-5-(3-pyrrolidinyl)- [ACD/Index Name]
3-Methyl-5-(3-pyrrolidinyl)-1,2,4-oxadiazol [German] [ACD/IUPAC Name]
3-Methyl-5-(3-pyrrolidinyl)-1,2,4-oxadiazole [ACD/IUPAC Name]
3-Méthyl-5-(3-pyrrolidinyl)-1,2,4-oxadiazole [French] [ACD/IUPAC Name]
902836-46-8 [RN]
915921-82-3 [RN]
[902836-46-8] [RN]

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

MFCD08061002 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-16564]
    • Safety:

      20/21/22 Novochemy [NC-16564]
      20/21/36/37/39 Novochemy [NC-16564]
      CAUTION: May irritate eyes, skin, and respiratory tract Alfa Aesar H50810
      GHS07; GHS09 Novochemy [NC-16564]
      H332; H403 Novochemy [NC-16564]
      P309+P311; P211; P242 Novochemy [NC-16564]
      R52/53 Novochemy [NC-16564]
      Warning Novochemy [NC-16564]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 280.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.0±3.0 kJ/mol
Flash Point: 123.6±30.1 °C
Index of Refraction: 1.500
Molar Refractivity: 39.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.42
ACD/LogD (pH 5.5): -2.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 51 Å2
Polarizability: 15.7±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 134.4±3.0 cm3

Click to predict properties on the Chemicalize site