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

• ChemBase ID: 247613
• Molecular Formular: C5H10ClN3O
• Molecular Mass: 163.6054
• Monoisotopic Mass: 163.05123964
• SMILES: n1c(noc1C)CNC.Cl
• Canonical SMILES: CNCc1noc(n1)C.Cl
• InChI: InChI=1S/C5H9N3O.ClH/c1-4-7-5(3-6-2)8-9-4;/h6H,3H2,1-2H3;1H
• InChIKey: APYRMXOSFAALQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164303523
• PubChem CID: 71758262

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4576325
• LogD (pH = 7.4): -0.13405731
• Log P: -0.003952619
• Molar Refractivity: 33.8735 cm^3
• Polarizability: 12.451667 Å^3
• Polar Surface Area: 50.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.869

Product Information

• Purity: 95%