5-(chloromethyl)-5-methyl-1,3-oxazolidin-2-one

C5H8ClNO2 — CID 14698772

IUPAC5-(chloromethyl)-5-methyl-1,3-oxazolidin-2-one
SMILESCC1(CCl)CNC(=O)O1
InChIInChI=1S/C5H8ClNO2/c1-5(2-6)3-7-4(8)9-5/h2-3H2,1H3,(H,7,8)
InChIKeyODMPCNVOXKDESU-UHFFFAOYSA-N
MW149.58 g/mol
LogP0.72
Rot. Bonds1

About 5-(chloromethyl)-5-methyl-1,3-oxazolidin-2-one

5-(chloromethyl)-5-methyl-1,3-oxazolidin-2-one (PubChem CID 14698772) has the molecular formula C5H8ClNO2 and a molecular weight of 149.58 g/mol. Its IUPAC name is 5-(chloromethyl)-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(chloromethyl)-5-methyl-1,3-oxazolidin-2-one
PubChem CID14698772
Molecular FormulaC5H8ClNO2
Molecular Weight149.58 g/mol
Exact Mass149.02
IUPAC Name5-(chloromethyl)-5-methyl-1,3-oxazolidin-2-one
SMILESCC1(CCl)CNC(=O)O1
InChIInChI=1S/C5H8ClNO2/c1-5(2-6)3-7-4(8)9-5/h2-3H2,1H3,(H,7,8)
InChIKeyODMPCNVOXKDESU-UHFFFAOYSA-N
XLogP0.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.58
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(chloromethyl)-5-methyl-1,3-oxazolidin-2-one (CID 14698772) is 5-(chloromethyl)-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(chloromethyl)-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(chloromethyl)-5-methyl-1,3-oxazolidin-2-one is CC1(CCl)CNC(=O)O1.
What is the InChIKey of 5-(chloromethyl)-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is ODMPCNVOXKDESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClNO2/c1-5(2-6)3-7-4(8)9-5/h2-3H2,1H3,(H,7,8).
What are the key properties of 5-(chloromethyl)-5-methyl-1,3-oxazolidin-2-one?
5-(chloromethyl)-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 149.58 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 14698772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).