Basic information
- Standard SMILES
Cc1cc(Nc2cc(B3OC(C)(C)C(C)(C)O3)cn(C)c2=O)no1- InChIKey
PIGFLRMOWOQMFS-UHFFFAOYSA-N- Molecular formula
- C16H22BN3O4
- Average molar mass
- 331.2 g/mol
Names & identifiers
- Preferred name
- 1-Methyl-3-(5-methylisoxazol-3-ylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-one
- IUPAC
- 1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
Names & synonyms
SCHEMBL14926128PIGFLRMOWOQMFS-UHFFFAOYSA-N1-Methyl-3-(5-methylisoxazol-3-ylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-one
Database identifiers
- PubChem CID
- 86684530
Properties
Computed structural properties
- Topological polar surface area
- 76.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 586
Related reactions
3 records
Compound notes
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