(2-methoxyphenyl)(5-methyl-1,2,4-oxadiazol-3-yl)methanamine hydrochloride

• ChemBase ID: 274601
• Molecular Formular: C11H14ClN3O2
• Molecular Mass: 255.70076
• Monoisotopic Mass: 255.07745438
• SMILES: c1(nc(on1)C)C(c1c(OC)cccc1)N.Cl
• Canonical SMILES: COc1ccccc1C(c1noc(n1)C)N.Cl
• InChI: InChI=1S/C11H13N3O2.ClH/c1-7-13-11(14-16-7)10(12)8-5-3-4-6-9(8)15-2;/h3-6,10H,12H2,1-2H3;1H
• InChIKey: OYPBBNIZNDOVIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyphenyl)(5-methyl-1,2,4-oxadiazol-3-yl)methanamine hydrochloride
• IUPAC Traditional name: (2-methoxyphenyl)(5-methyl-1,2,4-oxadiazol-3-yl)methanamine hydrochloride
• Synonyms: (2-methoxyphenyl)(5-methyl-1,2,4-oxadiazol-3-yl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD18838907
• PubChem SID: 164330511
• PubChem CID: 54593277

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.18210196
• LogD (pH = 7.4): 1.2452613
• Log P: 1.308615
• Molar Refractivity: 59.92 cm^3
• Polarizability: 22.687208 Å^3
• Polar Surface Area: 74.17 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 206 - 208°C
• Hydrophobicity(logP): -0.018

Product Information

• Purity: 95%