1-(2-Fluorophenyl)-4-[(5-phenyl-3-isoxazolyl)methyl]piperazine
Basic information
- CAS
339019-73-7- Standard SMILES
Fc1ccccc1N1CCN(Cc2cc(-c3ccccc3)on2)CC1- InChIKey
NXVQEEDIHKYYAA-UHFFFAOYSA-N- Molecular formula
- C20H20FN3O
- Average molar mass
- 337.4 g/mol
Names & identifiers
- Preferred name
- 1-(2-Fluorophenyl)-4-[(5-phenyl-3-isoxazolyl)methyl]piperazine
- IUPAC
- 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole
- English name
- 1-(2-Fluorophenyl)-4-[(5-phenyl-3-isoxazolyl)methyl]piperazine
- Molecular formula
- C20H20FN3O
- Molecular weight
- 337.39
Names & synonyms
339019-73-71-(2-fluorophenyl)-4-[(5-phenyl-3-isoxazolyl)methyl]piperazine1-(2-fluorophenyl)-4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazoleOprea1_418740MLS001166030CHEMBL1365754HMS2851A13AKOS0051011657N-657SSMR000549952Piperazine, 1-(2-fluorophenyl)-4-[(5-phenyl-3-isoxazolyl)methyl]-
Database identifiers
- CAS
339019-73-7- ChEMBL
CHEMBL1365754
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 32.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 410
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Compound notes
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