2,2-diethyl-4-[5-(methoxymethyl)-1,3,4-oxadiazole-2-carbonyl]morpholine

• ChemBase ID: 580603
• Molecular Formular: C13H21N3O4
• Molecular Mass: 283.32354
• Monoisotopic Mass: 283.15320617
• SMILES: c1(nnc(o1)COC)C(=O)N1CC(OCC1)(CC)CC
• Canonical SMILES: COCc1nnc(o1)C(=O)N1CCOC(C1)(CC)CC
• InChI: InChI=1S/C13H21N3O4/c1-4-13(5-2)9-16(6-7-19-13)12(17)11-15-14-10(20-11)8-18-3/h4-9H2,1-3H3
• InChIKey: KRPWMFOGAGCCOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-diethyl-4-[5-(methoxymethyl)-1,3,4-oxadiazole-2-carbonyl]morpholine
• IUPAC Traditional name: 2,2-diethyl-4-[5-(methoxymethyl)-1,3,4-oxadiazole-2-carbonyl]morpholine
• Synonyms: 2,2-diethyl-4-{[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]carbonyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.102862075
• LogD (pH = 7.4): 0.102862075
• Log P: 0.102862075
• Molar Refractivity: 73.4062 cm^3
• Polarizability: 27.479355 Å^3
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.33
• LOG S: -2.86
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 5