methyl({[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl})amine

• ChemBase ID: 307153
• Molecular Formular: C8H15N3O
• Molecular Mass: 169.2242
• Monoisotopic Mass: 169.12151212
• SMILES: n1c(noc1CNC)CC(C)C
• Canonical SMILES: CNCc1onc(n1)CC(C)C
• InChI: InChI=1S/C8H15N3O/c1-6(2)4-7-10-8(5-9-3)12-11-7/h6,9H,4-5H2,1-3H3
• InChIKey: GCVYRKZJCRULMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 915924-39-9
• MDL Number: MFCD08691538

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.21461792
• LogD (pH = 7.4): 1.2022214
• Log P: 1.3731873
• Molar Refractivity: 47.65 cm^3
• Polarizability: 17.943047 Å^3
• Polar Surface Area: 50.95 Å^2