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

• ChemBase ID: 307259
• Molecular Formular: C7H13N3O
• Molecular Mass: 155.19762
• Monoisotopic Mass: 155.10586205
• SMILES: n1c(onc1CNC)C(C)C
• Canonical SMILES: CNCc1noc(n1)C(C)C
• InChI: InChI=1S/C7H13N3O/c1-5(2)7-9-6(4-8-3)10-11-7/h5,8H,4H2,1-3H3
• InChIKey: VQKNAAAIDMNTME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 938459-06-4
• MDL Number: MFCD09055314

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.26668364
• LogD (pH = 7.4): 1.053011
• Log P: 1.1816788
• Molar Refractivity: 43.0749 cm^3
• Polarizability: 16.109444 Å^3
• Polar Surface Area: 50.95 Å^2