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

C6H10ClNO2 — CID 123845918

IUPAC5-(chloromethyl)-3,5-dimethyl-1,3-oxazolidin-2-one
SMILESCN1CC(C)(CCl)OC1=O
InChIInChI=1S/C6H10ClNO2/c1-6(3-7)4-8(2)5(9)10-6/h3-4H2,1-2H3
InChIKeyBAYMRUCESZUVRZ-UHFFFAOYSA-N
MW163.60 g/mol
LogP1.07
Rot. Bonds1

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

5-(chloromethyl)-3,5-dimethyl-1,3-oxazolidin-2-one (PubChem CID 123845918) has the molecular formula C6H10ClNO2 and a molecular weight of 163.60 g/mol. Its IUPAC name is 5-(chloromethyl)-3,5-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(chloromethyl)-3,5-dimethyl-1,3-oxazolidin-2-one
PubChem CID123845918
Molecular FormulaC6H10ClNO2
Molecular Weight163.60 g/mol
Exact Mass163.04
IUPAC Name5-(chloromethyl)-3,5-dimethyl-1,3-oxazolidin-2-one
SMILESCN1CC(C)(CCl)OC1=O
InChIInChI=1S/C6H10ClNO2/c1-6(3-7)4-8(2)5(9)10-6/h3-4H2,1-2H3
InChIKeyBAYMRUCESZUVRZ-UHFFFAOYSA-N
XLogP1.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.60
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(3-aminopropyl)-3,5-dimethyl-1,3-oxazolidin-2-one
CID 115065232
5-hydroxy-3,5-dimethyl-1,3-oxazolidin-2-one
CID 166457859
5-(chloromethyl)-5-methyl-1,3-oxazolidin-2-one
CID 14698772
3-(3-ethyl-5-methyl-2-oxo-1,3-oxazolidin-5-yl)propanoic acid
CID 115065359
3,5-diethyl-5-methyl-1,3-oxazolidin-2-one
CID 22000696
(2S)-2-(chloromethyl)-2-methyloxirane
CID 7164677
5-(2-aminophenyl)-3,5-dimethyl-1,3-oxazolidin-2-one
CID 105458735
5-(5-chloro-2-methoxyphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one
CID 82088842
3-ethyl-5-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one
CID 115064735
7-methyl-2-[(1-methylpiperidin-4-yl)methyl]-5-oxa-2,7-diazaspiro[3.4]octan-6-one
CID 155067148
(5S)-3,5-dimethyl-5-[(3S)-piperidin-3-yl]-1,3-oxazolidin-2-one
CID 171842990
5-(hydroxymethyl)-5-methyl-3-phenyl-1,3-oxazolidin-2-one
CID 115064715

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-3,5-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(chloromethyl)-3,5-dimethyl-1,3-oxazolidin-2-one (CID 123845918) is 5-(chloromethyl)-3,5-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(chloromethyl)-3,5-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(chloromethyl)-3,5-dimethyl-1,3-oxazolidin-2-one is CN1CC(C)(CCl)OC1=O.
What is the InChIKey of 5-(chloromethyl)-3,5-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is BAYMRUCESZUVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO2/c1-6(3-7)4-8(2)5(9)10-6/h3-4H2,1-2H3.
What are the key properties of 5-(chloromethyl)-3,5-dimethyl-1,3-oxazolidin-2-one?
5-(chloromethyl)-3,5-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 163.60 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3,5-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 123845918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).