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

• ChemBase ID: 851519
• Molecular Formular: C20H21N3O2
• Molecular Mass: 335.39964
• Monoisotopic Mass: 335.16337693
• SMILES: c1(nnc(o1)C)c1c(c2cc(CN3CCOCC3)ccc2)cccc1
• Canonical SMILES: Cc1nnc(o1)c1ccccc1c1cccc(c1)CN1CCOCC1
• InChI: InChI=1S/C20H21N3O2/c1-15-21-22-20(25-15)19-8-3-2-7-18(19)17-6-4-5-16(13-17)14-23-9-11-24-12-10-23/h2-8,13H,9-12,14H2,1H3
• InChIKey: XMAAIBWKKCGLDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl}methyl)morpholine
• IUPAC Traditional name: 4-({3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl}methyl)morpholine
• Synonyms: 4-{[2'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-yl]methyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.68253636
• LogD (pH = 7.4): 2.2225752
• Log P: 2.4726422
• Molar Refractivity: 109.2793 cm^3
• Polarizability: 39.154778 Å^3
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.85
• LOG S: -2.21
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 4