Basic information
- Standard SMILES
CCc1cnc(N2CCC(c3nc4cc(-c5ccc(-n6cnnn6)cc5F)ccc4o3)CC2)nc1- InChIKey
KVCZXEXFBOTPLP-UHFFFAOYSA-N- Molecular formula
- C25H23FN8O
- Average molar mass
- 470.5 g/mol
Names & identifiers
- Preferred name
- 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-[2-fluoro-4-(1H-tetrazol-1-yl)phenyl]benzo[d]oxazole
- IUPAC
- 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-[2-fluoro-4-(tetrazol-1-yl)phenyl]-1,3-benzoxazole
Names & synonyms
SCHEMBL14242771KVCZXEXFBOTPLP-UHFFFAOYSA-N2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-5-[2-fluoro-4-(1H-tetrazol-1-yl)phenyl]benzo[d]oxazole
Database identifiers
- PubChem CID
- 71114192
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 688
Related reactions
1 records
Compound notes
Loading…