3-(3-fluorophenyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole

C14H17FN4O — CID 62311650

IUPAC3-(3-fluorophenyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
SMILESCC(c1nc(-c2cccc(F)c2)no1)N1CCNCC1
InChIInChI=1S/C14H17FN4O/c1-10(19-7-5-16-6-8-19)14-17-13(18-20-14)11-3-2-4-12(15)9-11/h2-4,9-10,16H,5-8H2,1H3
InChIKeyXNJYTAXXQMWYDF-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.84
Rot. Bonds3

About 3-(3-fluorophenyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole

3-(3-fluorophenyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole (PubChem CID 62311650) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
PubChem CID62311650
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name3-(3-fluorophenyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
SMILESCC(c1nc(-c2cccc(F)c2)no1)N1CCNCC1
InChIInChI=1S/C14H17FN4O/c1-10(19-7-5-16-6-8-19)14-17-13(18-20-14)11-3-2-4-12(15)9-11/h2-4,9-10,16H,5-8H2,1H3
InChIKeyXNJYTAXXQMWYDF-UHFFFAOYSA-N
XLogP1.84
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-fluorophenyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole (CID 62311650) is 3-(3-fluorophenyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-fluorophenyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-fluorophenyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole is CC(c1nc(-c2cccc(F)c2)no1)N1CCNCC1.
What is the InChIKey of 3-(3-fluorophenyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
The InChIKey is XNJYTAXXQMWYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-10(19-7-5-16-6-8-19)14-17-13(18-20-14)11-3-2-4-12(15)9-11/h2-4,9-10,16H,5-8H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
3-(3-fluorophenyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole has a molecular weight of 276.31 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 62311650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).