({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)(oxolan-2-ylmethyl)(pyridin-2-ylmethyl)amine

• ChemBase ID: 827454
• Molecular Formular: C26H32N4O2
• Molecular Mass: 432.55788
• Monoisotopic Mass: 432.25252628
• SMILES: c1(nc(on1)CN(Cc1ncccc1)CC1OCCC1)C1(c2ccc(cc2)C)CCCC1
• Canonical SMILES: Cc1ccc(cc1)C1(CCCC1)c1noc(n1)CN(Cc1ccccn1)CC1CCCO1
• InChI: InChI=1S/C26H32N4O2/c1-20-9-11-21(12-10-20)26(13-3-4-14-26)25-28-24(32-29-25)19-30(18-23-8-6-16-31-23)17-22-7-2-5-15-27-22/h2,5,7,9-12,15,23H,3-4,6,8,13-14,16-19H2,1H3
• InChIKey: FNFAVCDLEXLMPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)(oxolan-2-ylmethyl)(pyridin-2-ylmethyl)amine
• IUPAC Traditional name: ({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)(oxolan-2-ylmethyl)(pyridin-2-ylmethyl)amine
• Synonyms: ({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)(2-pyridinylmethyl)(tetrahydro-2-furanylmethyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 5.028516
• LogD (pH = 7.4): 5.1722727
• Log P: 5.1744494
• Molar Refractivity: 136.0892 cm^3
• Polarizability: 48.2608 Å^3
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 4.35
• LOG S: -4.12
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 8