Basic information
- CAS
18753-56-5- Standard SMILES
c1ccc(Cc2cc(-c3ccccc3)no2)cc1- InChIKey
OYLPWPUOHCMCOK-UHFFFAOYSA-N- Molecular formula
- C16H13NO
- Average molar mass
- 235.28 g/mol
- Monoisotopic mass
- 235.09971404
Names & identifiers
- Preferred name
- Isoxazole, 3-phenyl-5-(phenylmethyl)-
- IUPAC
- 5-benzyl-3-phenyl-1,2-oxazole
- English name
- 5-Benzyl-3-phenylisoxazole
- Molecular weight
- 0
Names & synonyms
Isoxazole, 3-phenyl-5-(phenylmethyl)-5-Benzyl-3-phenylisoxazole18753-56-55-benzyl-3-phenyl-1,2-oxazoleIsoxazole, 5-benzyl-3-phenyl-SCHEMBL28670401DTXSID30341958OYLPWPUOHCMCOK-UHFFFAOYSA-N
Database identifiers
- CAS
18753-56-5- PubChem CID
- 577303
- DTXSID
DTXSID30341958- Nikkaji
- J104.270J
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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