Basic information
- CAS
23598-69-8- Standard SMILES
C#CCOCC1CN(c2ccc(C(C)=O)cc2)C(=O)O1- InChIKey
DZHVZKBRRQRCBJ-UHFFFAOYSA-N- Molecular formula
- C15H15NO4
- Average molar mass
- 273.28 g/mol
- Monoisotopic mass
- 273.10010796
Names & identifiers
- Preferred name
- Acetophenone, 4'-(2-oxo-5-(2-propynyloxymethyl)-3-oxazolidinyl)-
- IUPAC
- 3-(4-acetylphenyl)-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-2-one
- English name
- 3-(4-Acetylphenyl)-5-[(2-propynyloxy)methyl]-2-oxazolidinone
- Molecular formula
- C15H15NO4
- Molecular weight
- 273.28
Names & synonyms
23598-69-8BRN 05583072-Oxazolidinone, 3-(4-acetylphenyl)-5-(2-propynyloxymethyl)-ACETOPHENONE, 4'-(2-OXO-5-(2-PROPYNYLOXYMETHYL)-3-OXAZOLIDINYL)-RefChem:316948DTXSID009464143-(4-Acetylphenyl)-5-[(2-propynyloxy)methyl]-2-oxazolidinone3-(4-Acetylphenyl)-5-{[(prop-2-yn-1-yl)oxy]methyl}-1,3-oxazolidin-2-one2-Oxazolidinone, 3-(4-acetylphenyl)-5-[(2-propyn-1-yloxy)methyl]-
Database identifiers
- CAS
23598-69-8- PubChem CID
- 32020
- DTXSID
DTXSID00946414- Nikkaji
- J55.053A
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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