5-fluoro-3-(1-phenyl-1H-pyrazol-4-yl)benzo[d]isoxazole
Basic information
- CAS
651728-00-6- Standard SMILES
Fc1ccc2onc(-c3cnn(-c4ccccc4)c3)c2c1- InChIKey
UCWGRRBYLCMQJK-UHFFFAOYSA-N- Molecular formula
- C16H10FN3O
- Average molar mass
- 279.27 g/mol
- Monoisotopic mass
- 279.08079011
Names & identifiers
- Preferred name
- 5-fluoro-3-(1-phenyl-1H-pyrazol-4-yl)benzo[d]isoxazole
- IUPAC
- 5-fluoro-3-(1-phenylpyrazol-4-yl)-1,2-benzoxazole
Names & synonyms
651728-00-65-fluoro-3-(1-phenyl-1H-pyrazol-4-yl)benzo[d]isoxazoleDTXSID90624895MFCD03789414AKOS001779785CCG-1242735-Fluoro-3-(1-phenyl-1H-pyrazol-4-yl)-1,2-benzoxazole
Database identifiers
- CAS
651728-00-6- PubChem CID
- 22333346
- DTXSID
DTXSID90624895
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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