2-Oxazolidinone, 3-(diphenylmethyl)-5-(2-propynyloxymethyl)-
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Basic information
- CAS
23598-58-5- Standard SMILES
C#CCOCC1CN(C(c2ccccc2)c2ccccc2)C(=O)O1- InChIKey
CFZHWUKHPOMYNW-UHFFFAOYSA-N- Molecular formula
- C20H19NO3
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.13649347
Names & identifiers
- Preferred name
- 2-Oxazolidinone, 3-(diphenylmethyl)-5-(2-propynyloxymethyl)-
- IUPAC
- 3-benzhydryl-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-2-one
- English name
- 3-(Diphenylmethyl)-5-[(2-propynyloxy)methyl]-2-oxazolidinone
- Molecular formula
- C20H19NO3
- Molecular weight
- 321.37
Names & synonyms
23598-58-5BRN 05626813-(Diphenylmethyl)-5-(2-propynyloxymethyl)-2-oxazolidinone2-Oxazolidinone, 3-(diphenylmethyl)-5-(2-propynyloxymethyl)-RefChem:264662DTXSID509464093-(Diphenylmethyl)-5-[(2-propynyloxy)methyl]-2-oxazolidinone3-(Diphenylmethyl)-5-{[(prop-2-yn-1-yl)oxy]methyl}-1,3-oxazolidin-2-one2-Oxazolidinone, 3-(diphenylmethyl)-5-[(2-propyn-1-yloxy)methyl]-
Database identifiers
- CAS
23598-58-5- PubChem CID
- 211833
- DTXSID
DTXSID50946409- Nikkaji
- J42.637G
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 439
Physicochemical properties
- Boiling point
- 539 · 539.0±45.0 °C(Predicted)
- Density
- 1.189 · 1.189±0.06 g/cm3(Predicted)
- pka
- -2.22 · -2.22±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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