3,4,5-Triphenylisoxazole
Basic information
- CAS
22020-72-0- Standard SMILES
c1ccc(-c2noc(-c3ccccc3)c2-c2ccccc2)cc1- InChIKey
ZVOMKZHDZNGXPN-UHFFFAOYSA-N- Molecular formula
- C21H15NO
- Average molar mass
- 297.3 g/mol
- Monoisotopic mass
- 297.1153641
Names & identifiers
- Preferred name
- 3,4,5-Triphenylisoxazole
- IUPAC
- 3,4,5-triphenyl-1,2-oxazole
- English name
- 3,4,5-Triphenylisoxazole
- Molecular formula
- C21H15NO
- Molecular weight
- 297.35
Names & synonyms
3,4,5-Triphenylisoxazole22020-72-03,4,5-triphenyl-1,2-oxazoleIsoxazole,3,4,5-triphenyl-3,5-TriphenylisoxazoleNSC133085Isoxazole,4,5-triphenyl-3,4,5-triphenyl-isoxazole1,5-Triphenyl-3,4-oxazoleIsoxazole, 3,4,5-triphenyl-SCHEMBL79134121,2,5-Triphenyl-3,4-oxazole
Show more names
DTXSID60299832ZVOMKZHDZNGXPN-UHFFFAOYSA-NNSC-133085AH-357/02162049
Database identifiers
- CAS
22020-72-0- PubChem CID
- 280875
- DTXSID
DTXSID60299832- Nikkaji
- J108.322H
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- Melting point
- 212 °C · 212 °C
- Boiling point
- 410.5 · 410.5±24.0 °C(Predicted)
- Density
- 1.137 · 1.137±0.06 g/cm3(Predicted)
- pka
- -3.73 · -3.73±0.10(Predicted)
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Related reactions
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Compound notes
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