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

C3H4ClNO2 — CID 3386430

IUPAC3-chloro-1,3-oxazolidin-2-one
SMILESO=C1OCCN1Cl
InChIInChI=1S/C3H4ClNO2/c4-5-1-2-7-3(5)6/h1-2H2
InChIKeyQBZXNCTYNYRTIJ-UHFFFAOYSA-N
MW121.52 g/mol
LogP0.59
Rot. Bonds

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

3-chloro-1,3-oxazolidin-2-one (PubChem CID 3386430) has the molecular formula C3H4ClNO2 and a molecular weight of 121.52 g/mol. Its IUPAC name is 3-chloro-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-chloro-1,3-oxazolidin-2-one
PubChem CID3386430
Molecular FormulaC3H4ClNO2
Molecular Weight121.52 g/mol
Exact Mass120.99
IUPAC Name3-chloro-1,3-oxazolidin-2-one
SMILESO=C1OCCN1Cl
InChIInChI=1S/C3H4ClNO2/c4-5-1-2-7-3(5)6/h1-2H2
InChIKeyQBZXNCTYNYRTIJ-UHFFFAOYSA-N
XLogP0.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.52
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,3-oxazolidin-2-one?
The IUPAC name of 3-chloro-1,3-oxazolidin-2-one (CID 3386430) is 3-chloro-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-chloro-1,3-oxazolidin-2-one?
The canonical SMILES for 3-chloro-1,3-oxazolidin-2-one is O=C1OCCN1Cl.
What is the InChIKey of 3-chloro-1,3-oxazolidin-2-one?
The InChIKey is QBZXNCTYNYRTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4ClNO2/c4-5-1-2-7-3(5)6/h1-2H2.
What are the key properties of 3-chloro-1,3-oxazolidin-2-one?
3-chloro-1,3-oxazolidin-2-one has a molecular weight of 121.52 g/mol, XLogP of 0.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,3-oxazolidin-2-one is sourced from PubChem (CID 3386430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).