2-Oxazolidinone, 3-(5-isopropyl-o-tolyl)-5-(2-propynyloxymethyl)-
Basic information
- CAS
23598-57-4- Standard SMILES
C#CCOCC1CN(c2cc(C(C)C)ccc2C)C(=O)O1- InChIKey
PAXKIIHKJHZCSR-UHFFFAOYSA-N- Molecular formula
- C17H21NO3
- Average molar mass
- 287.35 g/mol
- Monoisotopic mass
- 287.15214353
Names & identifiers
- Preferred name
- 2-Oxazolidinone, 3-(5-isopropyl-o-tolyl)-5-(2-propynyloxymethyl)-
- IUPAC
- 3-(2-methyl-5-propan-2-ylphenyl)-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-2-one
- English name
- 3-[2-Methyl-5-(isopropyl)phenyl]-5-[(2-propynyloxy)methyl]-2-oxazolidinone
- Molecular formula
- C17H21NO3
- Molecular weight
- 287.35
Names & synonyms
23598-57-4BRN 05544293-(5-Isopropyl-o-tolyl)-5-(2-propynyloxymethyl)-2-oxazolidinone2-Oxazolidinone, 3-(5-isopropyl-o-tolyl)-5-(2-propynyloxymethyl)-RefChem:264660DTXSID909464083-[2-Methyl-5-(isopropyl)phenyl]-5-[(2-propynyloxy)methyl]-2-oxazolidinone3-[2-Methyl-5-(propan-2-yl)phenyl]-5-{[(prop-2-yn-1-yl)oxy]methyl}-1,3-oxazolidin-2-one2-Oxazolidinone, 3-[2-methyl-5-(1-methylethyl)phenyl]-5-[(2-propyn-1-yloxy)methyl]-
Database identifiers
- CAS
23598-57-4- PubChem CID
- 211832
- DTXSID
DTXSID90946408- Nikkaji
- J42.656C
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 412
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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