3-(1,2-oxazolidin-2-yl)-1-[2-(3-phenylpropyl)morpholin-4-yl]propan-1-one

• ChemBase ID: 792618
• Molecular Formular: C19H28N2O3
• Molecular Mass: 332.43722
• Monoisotopic Mass: 332.20999277
• SMILES: N1(C(=O)CCN2OCCC2)CC(OCC1)CCCc1ccccc1
• Canonical SMILES: O=C(N1CCOC(C1)CCCc1ccccc1)CCN1CCCO1
• InChI: InChI=1S/C19H28N2O3/c22-19(10-12-21-11-5-14-24-21)20-13-15-23-18(16-20)9-4-8-17-6-2-1-3-7-17/h1-3,6-7,18H,4-5,8-16H2
• InChIKey: ADMBNIHDNCICSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1,2-oxazolidin-2-yl)-1-[2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
• IUPAC Traditional name: 3-(1,2-oxazolidin-2-yl)-1-[2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
• Synonyms: 4-[3-(2-isoxazolidinyl)propanoyl]-2-(3-phenylpropyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7904474
• LogD (pH = 7.4): 1.790611
• Log P: 1.7906132
• Molar Refractivity: 93.5506 cm^3
• Polarizability: 36.85405 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.08
• LOG S: -1.7
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 7