methyl[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]({4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl}methyl)amine

• ChemBase ID: 573377
• Molecular Formular: C20H30N4O2
• Molecular Mass: 358.4778
• Monoisotopic Mass: 358.23687622
• SMILES: n1c(noc1C)CN(Cc1ccc(cc1)OCCN1CC(CCC1)C)C
• Canonical SMILES: CC1CCCN(C1)CCOc1ccc(cc1)CN(Cc1noc(n1)C)C
• InChI: InChI=1S/C20H30N4O2/c1-16-5-4-10-24(13-16)11-12-25-19-8-6-18(7-9-19)14-23(3)15-20-21-17(2)26-22-20/h6-9,16H,4-5,10-15H2,1-3H3
• InChIKey: NEHFWCDMOUMLRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]({4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl}methyl)amine
• IUPAC Traditional name: methyl[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]({4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl}methyl)amine
• Synonyms: N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-{4-[2-(3-methylpiperidin-1-yl)ethoxy]benzyl}methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.6201617
• LogD (pH = 7.4): 1.3380615
• Log P: 3.1108408
• Molar Refractivity: 104.8767 cm^3
• Polarizability: 40.04455 Å^3
• Polar Surface Area: 54.63 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 3.0
• LOG S: -3.37
• Polar Surface Area: 54.63 Å^2
• Rotatable Bonds: 8