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

• ChemBase ID: 308654
• Molecular Formular: C6H11N3O
• Molecular Mass: 141.17104
• Monoisotopic Mass: 141.09021199
• SMILES: n1c(onc1C)CNCC
• Canonical SMILES: CCNCc1onc(n1)C
• InChI: InChI=1S/C6H11N3O/c1-3-7-4-6-8-5(2)9-10-6/h7H,3-4H2,1-2H3
• InChIKey: REYGCAPKUGCICS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1082766-34-4
• MDL Number: MFCD11505312

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3081913
• LogD (pH = 7.4): 0.15117504
• Log P: 0.34583145
• Molar Refractivity: 38.6221 cm^3
• Polarizability: 14.278532 Å^3
• Polar Surface Area: 50.95 Å^2