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Basic information
- Standard SMILES
Cc1nc(C#CCCc2nc3cc(F)cc(Cl)c3o2)cs1- InChIKey
LAEUWYWJNHGVPY-UHFFFAOYSA-N- Molecular formula
- C15H10ClFN2OS
- Average molar mass
- 320.8 g/mol
- Monoisotopic mass
- 320.01864
Names & identifiers
- Preferred name
- 7-Chloro-5-fluoro-2-(4-(2-methylthiazol-4-yl)but-3-ynyl)benzo[d]oxazole
- IUPAC
- 7-chloro-5-fluoro-2-[4-(2-methyl-1,3-thiazol-4-yl)but-3-ynyl]-1,3-benzoxazole
Names & synonyms
SCHEMBL101820LAEUWYWJNHGVPY-UHFFFAOYSA-N7-chloro-5-fluoro-2-(4-(2-methylthiazol-4-yl)but-3-ynyl)benzo[d]oxazole
Database identifiers
- PubChem CID
- 11616746
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 440
Related reactions
4 records
Compound notes
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