3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3-oxazolidin-2-one

• ChemBase ID: 183898
• Molecular Formular: C14H16N2O3
• Molecular Mass: 260.28844
• Monoisotopic Mass: 260.11609238
• SMILES: C1(=O)N(CCc2c3c([nH]c2)ccc(c3)OC)CCO1
• Canonical SMILES: COc1cc2c(CCN3CCOC3=O)c[nH]c2cc1
• InChI: InChI=1S/C14H16N2O3/c1-18-11-2-3-13-12(8-11)10(9-15-13)4-5-16-6-7-19-14(16)17/h2-3,8-9,15H,4-7H2,1H3
• InChIKey: AKBXFRVVQCIDHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3-oxazolidin-2-one
• IUPAC Traditional name: 3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3-oxazolidin-2-one

Database IDs

• PubChem SID: 164239808
• PubChem CID: 739320

CALCULATED PROPERTIES

• Acid pKa: 16.484097
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8190551
• LogD (pH = 7.4): 1.8190551
• Log P: 1.8190551
• Molar Refractivity: 70.8312 cm^3
• Polarizability: 28.420975 Å^3
• Polar Surface Area: 54.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds