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

C4H6ClNO2 — CID 18802127

IUPAC3-(chloromethyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCl
InChIInChI=1S/C4H6ClNO2/c5-3-6-1-2-8-4(6)7/h1-3H2
InChIKeyPSWFFNYVGHLZTH-UHFFFAOYSA-N
MW135.55 g/mol
LogP0.63
Rot. Bonds1

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

3-(chloromethyl)-1,3-oxazolidin-2-one (PubChem CID 18802127) has the molecular formula C4H6ClNO2 and a molecular weight of 135.55 g/mol. Its IUPAC name is 3-(chloromethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(chloromethyl)-1,3-oxazolidin-2-one
PubChem CID18802127
Molecular FormulaC4H6ClNO2
Molecular Weight135.55 g/mol
Exact Mass135.01
IUPAC Name3-(chloromethyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCl
InChIInChI=1S/C4H6ClNO2/c5-3-6-1-2-8-4(6)7/h1-3H2
InChIKeyPSWFFNYVGHLZTH-UHFFFAOYSA-N
XLogP0.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.55
LogP ≤ 50.63
H-Bond Donors ≤ 50
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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Related Compounds

2-Oxazolidinone, 3-methyl-
CID 29831
3-(2-Chloroethyl)-1,3-oxazolidin-2-one
CID 75633
3-Ethyl-1,3-oxazolidin-2-one
CID 350825
2-Oxo-3-oxazolidinecarbonyl chloride
CID 20544459
2-Oxazolidinone, 3-chloro-
CID 3386430
Ethynyloxazolidinone
CID 12024497
(5S)-5-fluoro-3-methyl-1,3-oxazolidin-2-one
CID 178338345
N-formyl-oxazolidinone
CID 19736925
Hydroxymethyl oxazolidinone
CID 21585222
3-(4-Cyano)oxazolidin-2-one
CID 118487455
3-(Fluoromethyl)-1,3-oxazolidin-2-one
CID 67519298
5-Fluoro-3-methyl-1,3-oxazolidin-2-one
CID 89449777

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(chloromethyl)-1,3-oxazolidin-2-one (CID 18802127) is 3-(chloromethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(chloromethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(chloromethyl)-1,3-oxazolidin-2-one is O=C1OCCN1CCl.
What is the InChIKey of 3-(chloromethyl)-1,3-oxazolidin-2-one?
The InChIKey is PSWFFNYVGHLZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClNO2/c5-3-6-1-2-8-4(6)7/h1-3H2.
What are the key properties of 3-(chloromethyl)-1,3-oxazolidin-2-one?
3-(chloromethyl)-1,3-oxazolidin-2-one has a molecular weight of 135.55 g/mol, XLogP of 0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 18802127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).