4-(2-Bromo-5-fluorophenoxy)-1-[5-(1H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]piperidine
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Basic information
- Standard SMILES
Fc1ccc(Br)c(OC2CCN(c3noc(-c4cc[nH]c4)n3)CC2)c1- InChIKey
NUUPMJKCHPZRSH-UHFFFAOYSA-N- Molecular formula
- C17H16BrFN4O2
- Average molar mass
- 407.2 g/mol
Names & identifiers
- Preferred name
- 4-(2-Bromo-5-fluorophenoxy)-1-[5-(1H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]piperidine
- IUPAC
- 3-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-5-(1H-pyrrol-3-yl)-1,2,4-oxadiazole
Names & synonyms
SCHEMBL472975SCHEMBL27873492NUUPMJKCHPZRSH-UHFFFAOYSA-N4-(2-Bromo-5-fluorophenoxy)-1-[5-(1H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]piperidine
Database identifiers
- PubChem CID
- 136360149
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 441
Related reactions
3 records
Compound notes
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