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

C13H13NO5 — CID 117411933

IUPACethyl 2-oxo-2-[4-(3-oxo-1,2-oxazolidin-2-yl)phenyl]acetate
SMILESCCOC(=O)C(=O)c1ccc(N2OCCC2=O)cc1
InChIInChI=1S/C13H13NO5/c1-2-18-13(17)12(16)9-3-5-10(6-4-9)14-11(15)7-8-19-14/h3-6H,2,7-8H2,1H3
InChIKeyANVUIMXQZUMRFJ-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.10
Rot. Bonds4

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

ethyl 2-oxo-2-[4-(3-oxo-1,2-oxazolidin-2-yl)phenyl]acetate (PubChem CID 117411933) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is ethyl 2-oxo-2-[4-(3-oxo-1,2-oxazolidin-2-yl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-[4-(3-oxo-1,2-oxazolidin-2-yl)phenyl]acetate
PubChem CID117411933
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Nameethyl 2-oxo-2-[4-(3-oxo-1,2-oxazolidin-2-yl)phenyl]acetate
SMILESCCOC(=O)C(=O)c1ccc(N2OCCC2=O)cc1
InChIInChI=1S/C13H13NO5/c1-2-18-13(17)12(16)9-3-5-10(6-4-9)14-11(15)7-8-19-14/h3-6H,2,7-8H2,1H3
InChIKeyANVUIMXQZUMRFJ-UHFFFAOYSA-N
XLogP1.10
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-[4-(3-oxo-1,2-oxazolidin-2-yl)phenyl]acetate?
The IUPAC name of ethyl 2-oxo-2-[4-(3-oxo-1,2-oxazolidin-2-yl)phenyl]acetate (CID 117411933) is ethyl 2-oxo-2-[4-(3-oxo-1,2-oxazolidin-2-yl)phenyl]acetate.
What is the SMILES notation for ethyl 2-oxo-2-[4-(3-oxo-1,2-oxazolidin-2-yl)phenyl]acetate?
The canonical SMILES for ethyl 2-oxo-2-[4-(3-oxo-1,2-oxazolidin-2-yl)phenyl]acetate is CCOC(=O)C(=O)c1ccc(N2OCCC2=O)cc1.
What is the InChIKey of ethyl 2-oxo-2-[4-(3-oxo-1,2-oxazolidin-2-yl)phenyl]acetate?
The InChIKey is ANVUIMXQZUMRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c1-2-18-13(17)12(16)9-3-5-10(6-4-9)14-11(15)7-8-19-14/h3-6H,2,7-8H2,1H3.
What are the key properties of ethyl 2-oxo-2-[4-(3-oxo-1,2-oxazolidin-2-yl)phenyl]acetate?
ethyl 2-oxo-2-[4-(3-oxo-1,2-oxazolidin-2-yl)phenyl]acetate has a molecular weight of 263.25 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-[4-(3-oxo-1,2-oxazolidin-2-yl)phenyl]acetate is sourced from PubChem (CID 117411933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).