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

• ChemBase ID: 307585
• Molecular Formular: C9H15N3O
• Molecular Mass: 181.2349
• Monoisotopic Mass: 181.12151212
• SMILES: n1c(onc1CNC)C1CCCC1
• Canonical SMILES: CNCc1noc(n1)C1CCCC1
• InChI: InChI=1S/C9H15N3O/c1-10-6-8-11-9(13-12-8)7-4-2-3-5-7/h7,10H,2-6H2,1H3
• InChIKey: AUNSEZAFBPKZDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08691631

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.104331106
• LogD (pH = 7.4): 1.4233159
• Log P: 1.5517229
• Molar Refractivity: 50.4747 cm^3
• Polarizability: 19.058853 Å^3
• Polar Surface Area: 50.95 Å^2