methyl[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amine

• ChemBase ID: 309026
• Molecular Formular: C6H11N3O
• Molecular Mass: 141.17104
• Monoisotopic Mass: 141.09021199
• SMILES: n1c(onc1C)C(NC)C
• Canonical SMILES: CNC(c1onc(n1)C)C
• InChI: InChI=1S/C6H11N3O/c1-4(7-3)6-8-5(2)9-10-6/h4,7H,1-3H3
• InChIKey: LZOUKPQZKZNAIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amine
• IUPAC Traditional name: methyl[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amine
• Synonyms: N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine

Database IDs

• CAS Number: 1209845-95-3
• MDL Number: MFCD13188609

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.1449608
• LogD (pH = 7.4): 0.3215269
• Log P: 0.52054316
• Molar Refractivity: 38.3674 cm^3
• Polarizability: 14.27835 Å^3
• Polar Surface Area: 50.95 Å^2