4-(3,3-diethylpyrrolidine-1-carbonyl)-2-(3-methoxyphenoxymethyl)-1,3-oxazole

• ChemBase ID: 687071
• Molecular Formular: C20H26N2O4
• Molecular Mass: 358.43144
• Monoisotopic Mass: 358.18925732
• SMILES: c1(nc(oc1)COc1cc(OC)ccc1)C(=O)N1CC(CC1)(CC)CC
• Canonical SMILES: CCC1(CC)CCN(C1)C(=O)c1coc(n1)COc1cccc(c1)OC
• InChI: InChI=1S/C20H26N2O4/c1-4-20(5-2)9-10-22(14-20)19(23)17-12-26-18(21-17)13-25-16-8-6-7-15(11-16)24-3/h6-8,11-12H,4-5,9-10,13-14H2,1-3H3
• InChIKey: QICQOWUAEHACRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3,3-diethylpyrrolidine-1-carbonyl)-2-(3-methoxyphenoxymethyl)-1,3-oxazole
• IUPAC Traditional name: 4-(3,3-diethylpyrrolidine-1-carbonyl)-2-(3-methoxyphenoxymethyl)-1,3-oxazole
• Synonyms: 4-[(3,3-diethylpyrrolidin-1-yl)carbonyl]-2-[(3-methoxyphenoxy)methyl]-1,3-oxazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.1191854
• LogD (pH = 7.4): 3.1191854
• Log P: 3.1191854
• Molar Refractivity: 97.7459 cm^3
• Polarizability: 37.79931 Å^3
• Polar Surface Area: 64.8 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: 1.97
• LOG S: -3.5
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 7