2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethan-1-amine

• ChemBase ID: 309335
• Molecular Formular: C8H13N3O
• Molecular Mass: 167.20832
• Monoisotopic Mass: 167.10586205
• SMILES: n1c(onc1CCN)C1CCC1
• Canonical SMILES: NCCc1noc(n1)C1CCC1
• InChI: InChI=1S/C8H13N3O/c9-5-4-7-10-8(12-11-7)6-2-1-3-6/h6H,1-5,9H2
• InChIKey: SCQGJGMBRAEEBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethan-1-amine
• IUPAC Traditional name: 2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethanamine
• Synonyms: 2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethanamine

Database IDs

• CAS Number: 1249309-88-3
• MDL Number: MFCD14630292

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1726217
• LogD (pH = 7.4): -0.9106568
• Log P: 0.9303632
• Molar Refractivity: 45.7985 cm^3
• Polarizability: 17.1507 Å^3
• Polar Surface Area: 64.94 Å^2