2-Ethyl-4,5-diphenyloxazole
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Basic information
- CAS
20662-94-6- Standard SMILES
CCc1nc(-c2ccccc2)c(-c2ccccc2)o1- InChIKey
LRNAEIGJXGBLMO-UHFFFAOYSA-N- Molecular formula
- C17H15NO
- Average molar mass
- 249.31 g/mol
- Monoisotopic mass
- 249.1153641
Names & identifiers
- Preferred name
- 2-Ethyl-4,5-diphenyloxazole
- IUPAC
- 2-ethyl-4,5-diphenyl-1,3-oxazole
- English name
- 2-Ethyl-4,5-diphenyloxazole
- Molecular formula
- C17H15NO
- Molecular weight
- 249.31
Names & synonyms
2-Ethyl-4,5-diphenyloxazoleOxazole, 2-ethyl-4,5-diphenyl-20662-94-6DTXSID00344451RefChem:260549DTXCID10295526LRNAEIGJXGBLMO-UHFFFAOYSA-N2-Ethyl-4,5-diphenyl-1,3-oxazoleSCHEMBL27603862-Ethyl-4,5-diphenyl-1,3-oxazole #DB-365082
Database identifiers
- CAS
20662-94-6- PubChem CID
- 596979
- DTXSID
DTXSID00344451- Nikkaji
- J102.969J
Properties
Computed structural propertiesFilling in
- XLogP
- 5.2
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Melting point
- 31 · 31-32 °C(Solv: benzene (71-43-2); hexane (110-54-3))
- Boiling point
- 110 · 110-125 °C(Press: 0.3 Torr)
- Density
- 1.089 · 1.089±0.06 g/cm3(Predicted)
- pka
- 1.24 · 1.24±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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