3-acetyl-1,3-oxazolidin-2-one

C5H7NO3 — CID 538766

IUPAC3-acetyl-1,3-oxazolidin-2-one
SMILESCC(=O)N1CCOC1=O
InChIInChI=1S/C5H7NO3/c1-4(7)6-2-3-9-5(6)8/h2-3H2,1H3
InChIKeyCOCHMAAUXSQMED-UHFFFAOYSA-N
MW129.11 g/mol
LogP-0.01
Rot. Bonds

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

3-acetyl-1,3-oxazolidin-2-one (PubChem CID 538766) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is 3-acetyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-acetyl-1,3-oxazolidin-2-one
PubChem CID538766
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Name3-acetyl-1,3-oxazolidin-2-one
SMILESCC(=O)N1CCOC1=O
InChIInChI=1S/C5H7NO3/c1-4(7)6-2-3-9-5(6)8/h2-3H2,1H3
InChIKeyCOCHMAAUXSQMED-UHFFFAOYSA-N
XLogP-0.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Oxazolidinone, 3-methyl-
CID 29831
3-Ethyl-1,3-oxazolidin-2-one
CID 350825
3-Methyl-1,3-oxazolidine-2,4-dione
CID 12275362
Propionyl Oxazolidinone
CID 641554
(5S)-5-fluoro-3-methyl-1,3-oxazolidin-2-one
CID 178338345
Oxazolidine, 3-acetyl-
CID 10654201
2-Oxazolidinone, 3-(bromoacetyl)-
CID 11310290
3-Propyl-1,3-oxazolidin-2-one
CID 12238104
2-Oxazolidinone, 3-acetyl-5-chloro-
CID 12289576
3-Acetyl-2-methyloxazolidine
CID 12735611
N-formyl-oxazolidinone
CID 19736925
3-(Trifluoroacetyl)-1,3-oxazolidin-2-one
CID 45080818

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-acetyl-1,3-oxazolidin-2-one (CID 538766) is 3-acetyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-acetyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-acetyl-1,3-oxazolidin-2-one is CC(=O)N1CCOC1=O.
What is the InChIKey of 3-acetyl-1,3-oxazolidin-2-one?
The InChIKey is COCHMAAUXSQMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3/c1-4(7)6-2-3-9-5(6)8/h2-3H2,1H3.
What are the key properties of 3-acetyl-1,3-oxazolidin-2-one?
3-acetyl-1,3-oxazolidin-2-one has a molecular weight of 129.11 g/mol, XLogP of -0.01, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 538766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).