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

• ChemBase ID: 307154
• Molecular Formular: C6H11N3O
• Molecular Mass: 141.17104
• Monoisotopic Mass: 141.09021199
• SMILES: n1c(onc1CC)CNC
• Canonical SMILES: CNCc1onc(n1)CC
• InChI: InChI=1S/C6H11N3O/c1-3-5-8-6(4-7-2)10-9-5/h7H,3-4H2,1-2H3
• InChIKey: WBHVOQXHRCGQTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1042505-40-7
• MDL Number: MFCD09864305

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.94355506
• LogD (pH = 7.4): 0.4737908
• Log P: 0.6450173
• Molar Refractivity: 38.5004 cm^3
• Polarizability: 14.2783 Å^3
• Polar Surface Area: 50.95 Å^2