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

• ChemBase ID: 307589
• Molecular Formular: C8H13N3O
• Molecular Mass: 167.20832
• Monoisotopic Mass: 167.10586205
• SMILES: n1c(onc1CNC)C1CCC1
• Canonical SMILES: CNCc1noc(n1)C1CCC1
• InChI: InChI=1S/C8H13N3O/c1-9-5-7-10-8(12-11-7)6-3-2-4-6/h6,9H,2-5H2,1H3
• InChIKey: XXPOTQKEBKLJDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08691636

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.31590798
• LogD (pH = 7.4): 1.0030767
• Log P: 1.1314837
• Molar Refractivity: 45.8737 cm^3
• Polarizability: 17.225405 Å^3
• Polar Surface Area: 50.95 Å^2