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

• ChemBase ID: 563745
• Molecular Formular: C23H27N3O2
• Molecular Mass: 377.47938
• Monoisotopic Mass: 377.21032712
• SMILES: c1(nc(on1)CN(CC1OCCCC1)C)C(c1ccccc1)c1ccccc1
• Canonical SMILES: CN(Cc1onc(n1)C(c1ccccc1)c1ccccc1)CC1CCCCO1
• InChI: InChI=1S/C23H27N3O2/c1-26(16-20-14-8-9-15-27-20)17-21-24-23(25-28-21)22(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,20,22H,8-9,14-17H2,1H3
• InChIKey: ZYTQLAOCCVNNGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}(methyl)(oxan-2-ylmethyl)amine
• IUPAC Traditional name: {[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}(methyl)(oxan-2-ylmethyl)amine
• Synonyms: 1-[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(tetrahydro-2H-pyran-2-ylmethyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.6434147
• LogD (pH = 7.4): 4.5944695
• Log P: 4.640887
• Molar Refractivity: 111.4153 cm^3
• Polarizability: 42.59937 Å^3
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.71
• LOG S: -3.8
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 7