4-chloro-1,3-oxazolidin-2-one

C3H4ClNO2 — CID 12032823

IUPAC4-chloro-1,3-oxazolidin-2-one
SMILESO=C1NC(Cl)CO1
InChIInChI=1S/C3H4ClNO2/c4-2-1-7-3(6)5-2/h2H,1H2,(H,5,6)
InChIKeyCYXLFYDUTXDFNF-UHFFFAOYSA-N
MW121.52 g/mol
LogP0.29
Rot. Bonds

About 4-chloro-1,3-oxazolidin-2-one

4-chloro-1,3-oxazolidin-2-one (PubChem CID 12032823) has the molecular formula C3H4ClNO2 and a molecular weight of 121.52 g/mol. Its IUPAC name is 4-chloro-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-chloro-1,3-oxazolidin-2-one
PubChem CID12032823
Molecular FormulaC3H4ClNO2
Molecular Weight121.52 g/mol
Exact Mass120.99
IUPAC Name4-chloro-1,3-oxazolidin-2-one
SMILESO=C1NC(Cl)CO1
InChIInChI=1S/C3H4ClNO2/c4-2-1-7-3(6)5-2/h2H,1H2,(H,5,6)
InChIKeyCYXLFYDUTXDFNF-UHFFFAOYSA-N
XLogP0.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.52
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,3-oxazolidin-2-one?
The IUPAC name of 4-chloro-1,3-oxazolidin-2-one (CID 12032823) is 4-chloro-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-chloro-1,3-oxazolidin-2-one?
The canonical SMILES for 4-chloro-1,3-oxazolidin-2-one is O=C1NC(Cl)CO1.
What is the InChIKey of 4-chloro-1,3-oxazolidin-2-one?
The InChIKey is CYXLFYDUTXDFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4ClNO2/c4-2-1-7-3(6)5-2/h2H,1H2,(H,5,6).
What are the key properties of 4-chloro-1,3-oxazolidin-2-one?
4-chloro-1,3-oxazolidin-2-one has a molecular weight of 121.52 g/mol, XLogP of 0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,3-oxazolidin-2-one is sourced from PubChem (CID 12032823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).