[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3-bromo-5-ethoxy-4-methoxybenzoate

C15H16BrNO7 — CID 8879918

IUPAC[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3-bromo-5-ethoxy-4-methoxybenzoate
SMILESCCOc1cc(C(=O)OCC(=O)N2CCOC2=O)cc(Br)c1OC
InChIInChI=1S/C15H16BrNO7/c1-3-22-11-7-9(6-10(16)13(11)21-2)14(19)24-8-12(18)17-4-5-23-15(17)20/h6-7H,3-5,8H2,1-2H3
InChIKeyKLBVRQVQPIDNEO-UHFFFAOYSA-N
MW402.20 g/mol
LogP1.99
Rot. Bonds6

About [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3-bromo-5-ethoxy-4-methoxybenzoate

[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3-bromo-5-ethoxy-4-methoxybenzoate (PubChem CID 8879918) has the molecular formula C15H16BrNO7 and a molecular weight of 402.20 g/mol. Its IUPAC name is [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3-bromo-5-ethoxy-4-methoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3-bromo-5-ethoxy-4-methoxybenzoate
PubChem CID8879918
Molecular FormulaC15H16BrNO7
Molecular Weight402.20 g/mol
Exact Mass401.01
IUPAC Name[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3-bromo-5-ethoxy-4-methoxybenzoate
SMILESCCOc1cc(C(=O)OCC(=O)N2CCOC2=O)cc(Br)c1OC
InChIInChI=1S/C15H16BrNO7/c1-3-22-11-7-9(6-10(16)13(11)21-2)14(19)24-8-12(18)17-4-5-23-15(17)20/h6-7H,3-5,8H2,1-2H3
InChIKeyKLBVRQVQPIDNEO-UHFFFAOYSA-N
XLogP1.99
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.20
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3-bromo-5-ethoxy-4-methoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3,5-dichloro-4-methoxybenzoate
CID 9126378
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3,4-dimethoxybenzoate
CID 8649073
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 3-bromo-5-ethoxy-4-methoxybenzoate
CID 7557942
(2-oxo-2-piperidin-1-ylethyl) 3-bromo-4-ethoxy-5-methoxybenzoate
CID 55324785
[2-(cyclopropylamino)-2-oxoethyl] 3-bromo-5-ethoxy-4-methoxybenzoate
CID 7837372
[2-(2-methylpropylamino)-2-oxoethyl] 3-bromo-5-ethoxy-4-methoxybenzoate
CID 7557938
(2-anilino-2-oxoethyl) 3-bromo-5-ethoxy-4-methoxybenzoate
CID 7557961
(2-oxo-2-thiophen-2-ylethyl) 3-bromo-5-ethoxy-4-methoxybenzoate
CID 7837377
[2-(4-ethylanilino)-2-oxoethyl] 3-bromo-5-ethoxy-4-methoxybenzoate
CID 18273018
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-bromo-5-fluorobenzoate
CID 8987566
2-(4-methoxyphenyl)ethyl 3-bromo-5-ethoxy-4-methoxybenzoate
CID 7899106
[2-(carbamoylamino)-2-oxoethyl] 3-bromo-4-ethoxy-5-methoxybenzoate
CID 8634732

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3-bromo-5-ethoxy-4-methoxybenzoate?
The IUPAC name of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3-bromo-5-ethoxy-4-methoxybenzoate (CID 8879918) is [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3-bromo-5-ethoxy-4-methoxybenzoate.
What is the SMILES notation for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3-bromo-5-ethoxy-4-methoxybenzoate?
The canonical SMILES for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3-bromo-5-ethoxy-4-methoxybenzoate is CCOc1cc(C(=O)OCC(=O)N2CCOC2=O)cc(Br)c1OC.
What is the InChIKey of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3-bromo-5-ethoxy-4-methoxybenzoate?
The InChIKey is KLBVRQVQPIDNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO7/c1-3-22-11-7-9(6-10(16)13(11)21-2)14(19)24-8-12(18)17-4-5-23-15(17)20/h6-7H,3-5,8H2,1-2H3.
What are the key properties of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3-bromo-5-ethoxy-4-methoxybenzoate?
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3-bromo-5-ethoxy-4-methoxybenzoate has a molecular weight of 402.20 g/mol, XLogP of 1.99, 6 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-bromo-5-ethoxy-4-methoxybenzoate is sourced from PubChem (CID 8879918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).