Basic information
- CAS
392307-27-6- Standard SMILES
Cc1ccc(-n2nnnc2-c2cnoc2-c2cccc(F)c2)cc1- InChIKey
YGJWRLNVNKHDET-UHFFFAOYSA-N- Molecular formula
- C17H12FN5O
- Average molar mass
- 321.31 g/mol
- Monoisotopic mass
- 321.10258819
Names & identifiers
- Preferred name
- 5-[5-(3-fluorophenyl)isoxazol-4-yl]-1-(4-methylphenyl)-1H-tetraazole
- IUPAC
- 5-(3-fluorophenyl)-4-[1-(4-methylphenyl)tetrazol-5-yl]-1,2-oxazole
- English name
- 5-[5-(3-fluorophenyl)isoxazol-4-yl]-1-(4-methylphenyl)-1H-tetraazole
- Molecular formula
- C17H12FN5O
- Molecular weight
- 321.3084832
Names & synonyms
392307-27-65-[5-(3-fluorophenyl)isoxazol-4-yl]-1-(4-methylphenyl)-1H-tetraazole5-[5-(3-Fluorophenyl)-4-isoxazolyl]-1-(4-methylphenyl)-1H-tetrazoleMLS000549039CHEMBL1445249DTXSID001161150HMS2364B125-(3-fluorophenyl)-4-[1-(4-methylphenyl)tetrazol-5-yl]-1,2-oxazoleAKOS024378066SMR000114286ST51021692AG-401/40683210
Show more names
5-[5-(3-Fluorophenyl)-1,2-oxazol-4-yl]-1-(4-methylphenyl)-1H-tetrazole5-(3-fluorophenyl)-4-[1-(4-methylphenyl)(1,2,3,4-tetraazol-5-yl)]isoxazole
Database identifiers
- CAS
392307-27-6- PubChem CID
- 735591
- DTXSID
DTXSID001161150- ChEMBL
CHEMBL1445249
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 420
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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