(5R)-5-(3,5-dichloro-4-fluorophenyl)-3-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)-5-(trifluoromethyl)-4H-1,2-oxazole
Basic information
- Standard SMILES
CC1(C)OB(O)c2ccc(C3=NO[C@](c4cc(Cl)c(F)c(Cl)c4)(C(F)(F)F)C3)cc21- InChIKey
QKEXQELISPDIMT-GOSISDBHSA-N- Molecular formula
- C19H14BCl2F4NO3
- Average molar mass
- 462 g/mol
- Monoisotopic mass
- 461.0379915
Names & identifiers
- Preferred name
- (5R)-5-(3,5-dichloro-4-fluorophenyl)-3-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)-5-(trifluoromethyl)-4H-1,2-oxazole
- IUPAC
- (5R)-5-(3,5-dichloro-4-fluorophenyl)-3-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)-5-(trifluoromethyl)-4H-1,2-oxazole
Names & synonyms
DTXSID901019152MMV687775SCHEMBL14955983QKEXQELISPDIMT-GOSISDBHSA-N5-[(5R)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3,3-dimethyl-2,1-benzoxaborol-1(3H)-ol
Database identifiers
- PubChem CID
- 71572007
- DTXSID
DTXSID901019152
Properties
Computed structural properties
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 700
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Compound notes
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