1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]Piperazine

HCID 18382292

Notes Reactions

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Basic information

Standard SMILES: Cc1nc(-c2ccc(N3CCNCC3)cc2)no1
InChIKey: NPNTVEOHEIJADR-UHFFFAOYSA-N
Molecular formula: C13H16N4O
Average molar mass: 244.29 g/mol
Monoisotopic mass: 244.13241115

Names & identifiers

Preferred name: 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]Piperazine
IUPAC: 5-methyl-3-(4-piperazin-1-ylphenyl)-1,2,4-oxadiazole

Names & synonyms

222544-69-61-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]PiperazineSCHEMBL70699875-methyl-3-(4-piperazin-1-ylphenyl)-1,2,4-oxadiazoleAKOS015935178DA-079975-Methyl-3-(4-(piperazin-1-yl)phenyl)-1,2,4-oxadiazole5-METHYL-3-(4-PIPERAZINOPHENYL)-1,2,4-OXADIAZOLE

Database identifiers

PubChem CID: 18382292

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 54.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 262

Related reactions

1 records

New reaction record

HRID 699330As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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