Basic information
- CAS
4894-24-0- Standard SMILES
CC1(c2ccccc2)CC(c2ccccc2)=NO1- InChIKey
LSLHDHRGDNWNDN-UHFFFAOYSA-N- Molecular formula
- C16H15NO
- Average molar mass
- 237.3 g/mol
- Monoisotopic mass
- 237.1153641
Names & identifiers
- Preferred name
- 4,5-Dihydro-5-methyl-3,5-diphenylisoxazole
- IUPAC
- 5-methyl-3,5-diphenyl-4H-1,2-oxazole
Names & synonyms
4,5-Dihydro-5-methyl-3,5-diphenylisoxazole4894-24-0RefChem:285427NSC6399085-Methyl-3,5-diphenyl-4,5-dihydroisoxazole5-methyl-3,5-diphenyl-4,5-dihydro-1,2-oxazoleCHEMBL1984830SCHEMBL28665635DTXSID7012662245-methyl-3,5-diphenyl-4H-isoxazoleNSC-639908NCI60_013299
Database identifiers
- CAS
4894-24-0- PubChem CID
- 368754
- DTXSID
DTXSID701266224- ChEMBL
CHEMBL1984830- Nikkaji
- J1.199.985I
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 21.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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