[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl](methyl)amine

• ChemBase ID: 307258
• Molecular Formular: C6H11N3O
• Molecular Mass: 141.17104
• Monoisotopic Mass: 141.09021199
• SMILES: n1c(noc1CC)CNC
• Canonical SMILES: CNCc1noc(n1)CC
• InChI: InChI=1S/C6H11N3O/c1-3-6-8-5(4-7-2)9-10-6/h7H,3-4H2,1-2H3
• InChIKey: BIJFXVFSSOVINP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-ethyl-1,2,4-oxadiazol-3-yl)methyl](methyl)amine
• IUPAC Traditional name: [(5-ethyl-1,2,4-oxadiazol-3-yl)methyl](methyl)amine
• Synonyms: 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine

Database IDs

• CAS Number: 1177321-30-0
• MDL Number: MFCD09055313

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.8059921
• LogD (pH = 7.4): 0.51563585
• Log P: 0.6450173
• Molar Refractivity: 38.5004 cm^3
• Polarizability: 14.278671 Å^3
• Polar Surface Area: 50.95 Å^2