2-[3-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-benzoxazole
Basic information
- Standard SMILES
COc1cc(-c2nc3ccccc3o2)ccc1B1OC(C)(C)C(C)(C)O1- InChIKey
YAZNYFZLDRSASX-UHFFFAOYSA-N- Molecular formula
- C20H22BNO4
- Average molar mass
- 351.2 g/mol
Names & identifiers
- Preferred name
- 2-[3-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-benzoxazole
- IUPAC
- 2-[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-benzoxazole
Names & synonyms
SCHEMBL5831873YAZNYFZLDRSASX-UHFFFAOYSA-N2-[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-benzoxazole
Database identifiers
- PubChem CID
- 21990986
Properties
Computed structural properties
- Topological polar surface area
- 53.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 498
Related reactions
14 records
Compound notes
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