2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethan-1-amine hydrochloride

• ChemBase ID: 123463
• Molecular Formular: C16H16ClN3O
• Molecular Mass: 301.77074
• Monoisotopic Mass: 301.09818983
• SMILES: n1c(onc1c1ccccc1)C(Cc1ccccc1)N.Cl
• Canonical SMILES: NC(c1onc(n1)c1ccccc1)Cc1ccccc1.Cl
• InChI: InChI=1S/C16H15N3O.ClH/c17-14(11-12-7-3-1-4-8-12)16-18-15(19-20-16)13-9-5-2-6-10-13;/h1-10,14H,11,17H2;1H
• InChIKey: DXFNXLYYAQXRMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine hydrochloride
• Synonyms: 2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine hydrochloride

Database IDs

• PubChem SID: 162217816
• PubChem CID: 17438917

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8001531
• LogD (pH = 7.4): 3.3534539
• Log P: 3.6223383
• Molar Refractivity: 88.9985 cm^3
• Polarizability: 30.456543 Å^3
• Polar Surface Area: 64.94 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCL