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

• ChemBase ID: 307152
• Molecular Formular: C7H13N3O
• Molecular Mass: 155.19762
• Monoisotopic Mass: 155.10586205
• SMILES: n1c(noc1CNC)C(C)C
• Canonical SMILES: CNCc1onc(n1)C(C)C
• InChI: InChI=1S/C7H13N3O/c1-5(2)7-9-6(4-8-3)11-10-7/h5,8H,4H2,1-3H3
• InChIKey: FGZOBIVRWFUHKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1041527-07-4
• MDL Number: MFCD09055299

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.4043928
• LogD (pH = 7.4): 1.0113006
• Log P: 1.1816788
• Molar Refractivity: 43.0749 cm^3
• Polarizability: 16.109077 Å^3
• Polar Surface Area: 50.95 Å^2