[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3,4-dimethoxybenzoate

C₁₄H₁₅NO₇ — CID 8649073

About [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3,4-dimethoxybenzoate

[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3,4-dimethoxybenzoate (PubChem CID 8649073) has the molecular formula C₁₄H₁₅NO₇ and a molecular weight of 309.27 g/mol. Its IUPAC name is [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3,4-dimethoxybenzoate.

Molecular Properties

• Compound Name: [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3,4-dimethoxybenzoate
• PubChem CID: 8649073
• Molecular Formula: C₁₄H₁₅NO₇
• Molecular Weight: 309.27 g/mol
• Exact Mass: 309.08
• IUPAC Name: [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3,4-dimethoxybenzoate
• SMILES: COc1ccc(C(=O)OCC(=O)N2CCOC2=O)cc1OC
• InChI: InChI=1S/C14H15NO7/c1-19-10-4-3-9(7-11(10)20-2)13(17)22-8-12(16)15-5-6-21-14(15)18/h3-4,7H,5-6,8H2,1-2H3
• InChIKey: BTBSTDVSLDOPKQ-UHFFFAOYSA-N
• XLogP: 0.84
• TPSA: 91.37 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	309.27
LogP ≤ 5	0.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3,4-dimethoxybenzoate?

The IUPAC name of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3,4-dimethoxybenzoate (CID 8649073) is [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3,4-dimethoxybenzoate.

What is the SMILES notation for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3,4-dimethoxybenzoate?

The canonical SMILES for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3,4-dimethoxybenzoate is COc1ccc(C(=O)OCC(=O)N2CCOC2=O)cc1OC.

What is the InChIKey of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3,4-dimethoxybenzoate?

The InChIKey is BTBSTDVSLDOPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO7/c1-19-10-4-3-9(7-11(10)20-2)13(17)22-8-12(16)15-5-6-21-14(15)18/h3-4,7H,5-6,8H2,1-2H3.

What are the key properties of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3,4-dimethoxybenzoate?

[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3,4-dimethoxybenzoate has a molecular weight of 309.27 g/mol, XLogP of 0.84, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3,4-dimethoxybenzoate is sourced from PubChem (CID 8649073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 8649073 — identifiers, structure, computed properties (public domain)

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