5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(3-phenylpropyl)pyridin-2-amine

• ChemBase ID: 367718
• Molecular Formular: C18H20N4O2
• Molecular Mass: 324.377
• Monoisotopic Mass: 324.1586259
• SMILES: n1c(onc1COC)c1cnc(NCCCc2ccccc2)cc1
• Canonical SMILES: COCc1noc(n1)c1ccc(nc1)NCCCc1ccccc1
• InChI: InChI=1S/C18H20N4O2/c1-23-13-17-21-18(24-22-17)15-9-10-16(20-12-15)19-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3,(H,19,20)
• InChIKey: IYOWPQVTDZVAEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(3-phenylpropyl)pyridin-2-amine
• IUPAC Traditional name: 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(3-phenylpropyl)pyridin-2-amine
• Synonyms: 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(3-phenylpropyl)-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.3727791
• LogD (pH = 7.4): 3.49519
• Log P: 3.4970098
• Molar Refractivity: 105.1725 cm^3
• Polarizability: 35.37251 Å^3
• Polar Surface Area: 73.07 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.0
• LOG S: -4.75
• Polar Surface Area: 73.07 Å^2
• Rotatable Bonds: 7