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

• ChemBase ID: 274824
• Molecular Formular: C10H11ClFN3O
• Molecular Mass: 243.6652432
• Monoisotopic Mass: 243.05746789
• SMILES: c1(nc(on1)C)C(c1c(F)cccc1)N.Cl
• Canonical SMILES: Cc1onc(n1)C(c1ccccc1F)N.Cl
• InChI: InChI=1S/C10H10FN3O.ClH/c1-6-13-10(14-15-6)9(12)7-4-2-3-5-8(7)11;/h2-5,9H,12H2,1H3;1H
• InChIKey: CSOOWMUMKFKOLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18838991
• PubChem SID: 164330734
• PubChem CID: 54593388

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.45114294
• LogD (pH = 7.4): 1.5765321
• Log P: 1.6516699
• Molar Refractivity: 53.6732 cm^3
• Polarizability: 19.871983 Å^3
• Polar Surface Area: 64.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 225 - 227°C
• Hydrophobicity(logP): 0.206

Product Information

• Purity: 95%