3-methyl-1,3-oxazolidin-2-one

C4H7NO2 — CID 29831

IUPAC3-methyl-1,3-oxazolidin-2-one
SMILESCN1CCOC1=O
InChIInChI=1S/C4H7NO2/c1-5-2-3-7-4(5)6/h2-3H2,1H3
InChIKeyVWIIJDNADIEEDB-UHFFFAOYSA-N
MW101.11 g/mol
LogP0.07
Rot. Bonds

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

3-methyl-1,3-oxazolidin-2-one (PubChem CID 29831) has the molecular formula C4H7NO2 and a molecular weight of 101.11 g/mol. Its IUPAC name is 3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-methyl-1,3-oxazolidin-2-one
PubChem CID29831
Molecular FormulaC4H7NO2
Molecular Weight101.11 g/mol
Exact Mass101.05
IUPAC Name3-methyl-1,3-oxazolidin-2-one
SMILESCN1CCOC1=O
InChIInChI=1S/C4H7NO2/c1-5-2-3-7-4(5)6/h2-3H2,1H3
InChIKeyVWIIJDNADIEEDB-UHFFFAOYSA-N
XLogP0.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.11
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Oxazolidinone, 3-(2-hydroxyethyl)-
CID 76887
3-Ethyl-1,3-oxazolidin-2-one
CID 350825
3-Acetyl-2-oxazolidinone
CID 538766
3-Butyl-1,3-oxazolidin-2-one
CID 567723
3-(Dimethylamino)-1,3-oxazolidin-2-one
CID 236173
2-Oxo-3-oxazolidinecarbonyl chloride
CID 20544459
methyl N-(2-methoxyethyl)-N-methylcarbamate
CID 87169869
3-[2-(Dimethylamino)ethyl]-1,3-oxazolidin-2-one
CID 141221014
2-Oxazolidinone, 3-(2-propynyl)-
CID 11542783
Fluoro oxazolidinone
CID 21462635
3-(2,2,2-Trifluoroethyl)-1,3-oxazolidin-2-one
CID 119097004
2-Oxazolidinone, 3-chloro-
CID 3386430

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-methyl-1,3-oxazolidin-2-one (CID 29831) is 3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-methyl-1,3-oxazolidin-2-one is CN1CCOC1=O.
What is the InChIKey of 3-methyl-1,3-oxazolidin-2-one?
The InChIKey is VWIIJDNADIEEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2/c1-5-2-3-7-4(5)6/h2-3H2,1H3.
What are the key properties of 3-methyl-1,3-oxazolidin-2-one?
3-methyl-1,3-oxazolidin-2-one has a molecular weight of 101.11 g/mol, XLogP of 0.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 29831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).