({3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl}methyl)(methyl)(quinolin-5-ylmethyl)amine

• ChemBase ID: 653574
• Molecular Formular: C21H19FN4O
• Molecular Mass: 362.4001632
• Monoisotopic Mass: 362.15428947
• SMILES: n1c(onc1Cc1c(F)cccc1)CN(Cc1c2c(nccc2)ccc1)C
• Canonical SMILES: CN(Cc1cccc2c1cccn2)Cc1onc(n1)Cc1ccccc1F
• InChI: InChI=1S/C21H19FN4O/c1-26(13-16-7-4-10-19-17(16)8-5-11-23-19)14-21-24-20(25-27-21)12-15-6-2-3-9-18(15)22/h2-11H,12-14H2,1H3
• InChIKey: DLIBLGUAUHCCQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl}methyl)(methyl)(quinolin-5-ylmethyl)amine
• IUPAC Traditional name: ({3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl}methyl)(methyl)(quinolin-5-ylmethyl)amine
• Synonyms: 1-[3-(2-fluorobenzyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(5-quinolinylmethyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8400414
• LogD (pH = 7.4): 4.1224794
• Log P: 4.2371483
• Molar Refractivity: 102.6404 cm^3
• Polarizability: 39.692688 Å^3
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.96
• LOG S: -3.29
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 6