3-(2-methoxyphenoxy)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]azetidine-1-carboxamide

• ChemBase ID: 579536
• Molecular Formular: C20H21N3O5
• Molecular Mass: 383.39784
• Monoisotopic Mass: 383.14812079
• SMILES: N1(C(=O)Nc2cc(N3C(=O)OCC3)ccc2)CC(C1)Oc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1OC1CN(C1)C(=O)Nc1cccc(c1)N1CCOC1=O
• InChI: InChI=1S/C20H21N3O5/c1-26-17-7-2-3-8-18(17)28-16-12-22(13-16)19(24)21-14-5-4-6-15(11-14)23-9-10-27-20(23)25/h2-8,11,16H,9-10,12-13H2,1H3,(H,21,24)
• InChIKey: VYWQVXCDIRSLQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxyphenoxy)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]azetidine-1-carboxamide
• IUPAC Traditional name: 3-(2-methoxyphenoxy)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]azetidine-1-carboxamide
• Synonyms: 3-(2-methoxyphenoxy)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]azetidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.085909
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.248926
• LogD (pH = 7.4): 2.248925
• Log P: 2.248926
• Molar Refractivity: 101.7412 cm^3
• Polarizability: 38.82073 Å^3
• Polar Surface Area: 80.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.01
• LOG S: -3.71
• Polar Surface Area: 80.34 Å^2
• Rotatable Bonds: 5