Basic information
- Standard SMILES
CC(C)c1noc(C2CCN(c3ccc4oc(-c5ccc(S(C)(=O)=O)cc5F)nc4c3)CC2)n1- InChIKey
VHOTXSDUHGGELP-UHFFFAOYSA-N- Molecular formula
- C24H25FN4O4S
- Average molar mass
- 484.5 g/mol
- Monoisotopic mass
- 484.15805463
Names & identifiers
- Preferred name
- 2-[2-Fluoro-4-(methylsulfonyl)phenyl]-5-[4-(3-isopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]benzo[d]oxazole
- IUPAC
- 2-(2-fluoro-4-methylsulfonylphenyl)-5-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-benzoxazole
Names & synonyms
SCHEMBL14695802VHOTXSDUHGGELP-UHFFFAOYSA-N2-[2-fluoro-4-(methylsulfonyl)phenyl]-5-[4-(3-isopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]benzo[d]oxazole
Database identifiers
- PubChem CID
- 71257484
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 803
Related reactions
1 records
Compound notes
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