Basic information
- Standard SMILES
CC1(C)OB(c2ccc(OCc3cc(-c4c(F)ccc(F)c4Cl)no3)nc2)OC1(C)C- InChIKey
DABNPKBGKZXULC-UHFFFAOYSA-N- Molecular formula
- C21H20BClF2N2O4
- Average molar mass
- 448.7 g/mol
Names & identifiers
- Preferred name
- 2-[3-(2-Chloro-3,6-difluoro-phenyl)-isoxazol-5-ylmethoxy]-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridine
- IUPAC
- 3-(2-chloro-3,6-difluorophenyl)-5-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxymethyl]-1,2-oxazole
Names & synonyms
SCHEMBL1751685DABNPKBGKZXULC-UHFFFAOYSA-N2-[3-(2-chloro-3,6-difluoro-phenyl)-isoxazol-5-ylmethoxy]-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridine
Database identifiers
- PubChem CID
- 67148796
Properties
Computed structural properties
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 618
Related reactions
4 records
Compound notes
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