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

• ChemBase ID: 307588
• Molecular Formular: C7H11N3O
• Molecular Mass: 153.18174
• Monoisotopic Mass: 153.09021199
• SMILES: n1c(onc1CN)C1CCC1
• Canonical SMILES: NCc1noc(n1)C1CCC1
• InChI: InChI=1S/C7H11N3O/c8-4-6-9-7(11-10-6)5-2-1-3-5/h5H,1-4,8H2
• InChIKey: IPFHYVDQNXSDFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08691635

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2123721
• LogD (pH = 7.4): 0.40160587
• Log P: 0.73958284
• Molar Refractivity: 41.0991 cm^3
• Polarizability: 15.394622 Å^3
• Polar Surface Area: 64.94 Å^2