4-benzyl-2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)morpholine

• ChemBase ID: 445661
• Molecular Formular: C17H21N3O2
• Molecular Mass: 299.36754
• Monoisotopic Mass: 299.16337693
• SMILES: n1c(noc1C1CCC1)C1CN(Cc2ccccc2)CCO1
• Canonical SMILES: C1CC(C1)c1onc(n1)C1OCCN(C1)Cc1ccccc1
• InChI: InChI=1S/C17H21N3O2/c1-2-5-13(6-3-1)11-20-9-10-21-15(12-20)16-18-17(22-19-16)14-7-4-8-14/h1-3,5-6,14-15H,4,7-12H2
• InChIKey: QBGMAOVSYQVPOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-benzyl-2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)morpholine
• IUPAC Traditional name: 4-benzyl-2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)morpholine
• Synonyms: 4-benzyl-2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.3862815
• LogD (pH = 7.4): 3.1220515
• Log P: 3.1474006
• Molar Refractivity: 84.6008 cm^3
• Polarizability: 32.28407 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: 2.07
• LOG S: -2.14
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 4