1-(4-chlorophenyl)-2-(2-oxo-1,3-oxazolidin-3-yl)ethane-1,2-dione

C11H8ClNO4 — CID 121006003

IUPAC1-(4-chlorophenyl)-2-(2-oxo-1,3-oxazolidin-3-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1CCOC1=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H8ClNO4/c12-8-3-1-7(2-4-8)9(14)10(15)13-5-6-17-11(13)16/h1-4H,5-6H2
InChIKeyXNWGIJFKEABWQX-UHFFFAOYSA-N
MW253.64 g/mol
LogP1.50
Rot. Bonds2

About 1-(4-chlorophenyl)-2-(2-oxo-1,3-oxazolidin-3-yl)ethane-1,2-dione

1-(4-chlorophenyl)-2-(2-oxo-1,3-oxazolidin-3-yl)ethane-1,2-dione (PubChem CID 121006003) has the molecular formula C11H8ClNO4 and a molecular weight of 253.64 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2-oxo-1,3-oxazolidin-3-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2-oxo-1,3-oxazolidin-3-yl)ethane-1,2-dione
PubChem CID121006003
Molecular FormulaC11H8ClNO4
Molecular Weight253.64 g/mol
Exact Mass253.01
IUPAC Name1-(4-chlorophenyl)-2-(2-oxo-1,3-oxazolidin-3-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1CCOC1=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H8ClNO4/c12-8-3-1-7(2-4-8)9(14)10(15)13-5-6-17-11(13)16/h1-4H,5-6H2
InChIKeyXNWGIJFKEABWQX-UHFFFAOYSA-N
XLogP1.50
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.64
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-(4-chlorophenyl)-2-(2-oxo-1,3-oxazolidin-3-yl)ethane-1,2-dione?
The IUPAC name of 1-(4-chlorophenyl)-2-(2-oxo-1,3-oxazolidin-3-yl)ethane-1,2-dione (CID 121006003) is 1-(4-chlorophenyl)-2-(2-oxo-1,3-oxazolidin-3-yl)ethane-1,2-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2-oxo-1,3-oxazolidin-3-yl)ethane-1,2-dione?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2-oxo-1,3-oxazolidin-3-yl)ethane-1,2-dione is O=C(C(=O)N1CCOC1=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2-oxo-1,3-oxazolidin-3-yl)ethane-1,2-dione?
The InChIKey is XNWGIJFKEABWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO4/c12-8-3-1-7(2-4-8)9(14)10(15)13-5-6-17-11(13)16/h1-4H,5-6H2.
What are the key properties of 1-(4-chlorophenyl)-2-(2-oxo-1,3-oxazolidin-3-yl)ethane-1,2-dione?
1-(4-chlorophenyl)-2-(2-oxo-1,3-oxazolidin-3-yl)ethane-1,2-dione has a molecular weight of 253.64 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2-oxo-1,3-oxazolidin-3-yl)ethane-1,2-dione is sourced from PubChem (CID 121006003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).