Basic information
- Standard SMILES
Fc1cc(-n2cnnn2)ccc1-c1ccc2oc(C3CCNCC3)nc2c1.O=C(O)C(F)(F)F- InChIKey
XMOVWQSGCHEWNJ-UHFFFAOYSA-N- Molecular formula
- C21H18F4N6O3
- Average molar mass
- 478.4 g/mol
Names & identifiers
- Preferred name
- 5-(2-fluoro-4-(1H-tetrazol-1-yl)phenyl)-2-(piperidin-4-yl)benzo[d]oxazole 2,2,2-trifluoroacetate
- IUPAC
- 5-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-piperidin-4-yl-1,3-benzoxazole;2,2,2-trifluoroacetic acid
Names & synonyms
5-(2-fluoro-4-(1H-tetrazol-1-yl)phenyl)-2-(piperidin-4-yl)benzo[d]oxazole 2,2,2-trifluoroacetate5-[2-fluoro-4-(1H-tetrazol-1-yl)phenyl]-2-(piperidin-4-yl)benzo[d]oxazole 2,2,2-trifluoroacetateSCHEMBL141585375-[2-fluoro-4-(1H-tetrazol-1-yl)-phenyl]-2-(piperidin-4-yl)-benzo[d]oxazole 2,2,2-trifluoroacetate5-[2-fluoro-4-(1H-tetrazol-1-yl)-phenyl]-2-(piperidin-4-yl)benzo[d]oxazole 2,2,2-trifluoroacetate5-[2-fluoro-4-(1H-tetrazol-1-yl)phenyl]-2-(piperidin-4-yl)benzo[d]oxazole 2,2,2-trifluoro acetate
Database identifiers
- PubChem CID
- 71090080
Properties
Computed structural properties
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 3
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 590
Related reactions
16 records
Compound notes
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