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

• ChemBase ID: 307581
• Molecular Formular: C7H13N3O
• Molecular Mass: 155.19762
• Monoisotopic Mass: 155.10586205
• SMILES: n1c(noc1CCC)CNC
• Canonical SMILES: CCCc1onc(n1)CNC
• InChI: InChI=1S/C7H13N3O/c1-3-4-7-9-6(5-8-2)10-11-7/h8H,3-5H2,1-2H3
• InChIKey: GRRUHWZEIFONDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 915922-63-3
• MDL Number: MFCD08691624

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.38530648
• LogD (pH = 7.4): 0.93599564
• Log P: 1.0652565
• Molar Refractivity: 43.1014 cm^3
• Polarizability: 16.10965 Å^3
• Polar Surface Area: 50.95 Å^2