methyl 5-[5-(methoxycarbonyl)-2-methyl-1,2-oxazolidin-3-yl]pyridine-3-carboxylate

• ChemBase ID: 173932
• Molecular Formular: C13H16N2O5
• Molecular Mass: 280.27654
• Monoisotopic Mass: 280.10592162
• SMILES: c1(cncc(c1)C1N(OC(C1)C(=O)OC)C)C(=O)OC
• Canonical SMILES: COC(=O)C1ON(C(C1)c1cncc(c1)C(=O)OC)C
• InChI: InChI=1S/C13H16N2O5/c1-15-10(5-11(20-15)13(17)19-3)8-4-9(7-14-6-8)12(16)18-2/h4,6-7,10-11H,5H2,1-3H3
• InChIKey: HFYIQESXTHEYPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 5-[5-(methoxycarbonyl)-2-methyl-1,2-oxazolidin-3-yl]pyridine-3-carboxylate
• IUPAC Traditional name: methyl 5-[5-(methoxycarbonyl)-2-methyl-1,2-oxazolidin-3-yl]pyridine-3-carboxylate
• Synonyms: N-Methyl-3-[3-(5-methoxycarbonylpyridyl)-5-isoxazolecarboxylic Acid Methyl Ester

Database IDs

• CAS Number: 1159977-50-0
• PubChem SID: 164229842
• PubChem CID: 46782276

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.09744481
• LogD (pH = 7.4): 0.09754637
• Log P: 0.097547665
• Molar Refractivity: 68.5869 cm^3
• Polarizability: 27.245625 Å^3
• Polar Surface Area: 77.96 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Methanol
• Apperance: Pale Brown Oil