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

C14H15NO7 — CID 8649073

IUPAC[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)N2CCOC2=O)cc1OC
InChIInChI=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
InChIKeyBTBSTDVSLDOPKQ-UHFFFAOYSA-N
MW309.27 g/mol
LogP0.84
Rot. Bonds5

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 CID8649073
Molecular FormulaC14H15NO7
Molecular Weight309.27 g/mol
Exact Mass309.08
IUPAC Name[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)N2CCOC2=O)cc1OC
InChIInChI=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
InChIKeyBTBSTDVSLDOPKQ-UHFFFAOYSA-N
XLogP0.84
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.27
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-bromo-5-ethoxy-4-methoxybenzoate
CID 8879918
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-phenylbenzoate
CID 8650065
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 8012097
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3,4-dimethoxybenzoate
CID 2592108
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3-nitrobenzoate
CID 8647221
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 8974949
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-methoxy-4-(2-methylpropoxy)benzoate
CID 7194469
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate
CID 8881803
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate
CID 8972771
[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 3,4-dimethoxybenzoate
CID 9200516
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-(1,3-dithian-2-yl)benzoate
CID 8950440

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).