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

• ChemBase ID: 307653
• Molecular Formular: C6H11N3O
• Molecular Mass: 141.17104
• Monoisotopic Mass: 141.09021199
• SMILES: n1c(noc1C)CCNC
• Canonical SMILES: CNCCc1noc(n1)C
• InChI: InChI=1S/C6H11N3O/c1-5-8-6(9-10-5)3-4-7-2/h7H,3-4H2,1-2H3
• InChIKey: ZZQZCTVJNGKPMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09971194

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.0706673
• LogD (pH = 7.4): -1.8011796
• Log P: 0.18682773
• Molar Refractivity: 38.5729 cm^3
• Polarizability: 14.204899 Å^3
• Polar Surface Area: 50.95 Å^2