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

C13H14ClFN4O — CID 63342697

IUPAC5-(5-chloro-2-fluorophenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
SMILESFc1ccc(Cl)cc1-c1nc(CN2CCNCC2)no1
InChIInChI=1S/C13H14ClFN4O/c14-9-1-2-11(15)10(7-9)13-17-12(18-20-13)8-19-5-3-16-4-6-19/h1-2,7,16H,3-6,8H2
InChIKeyOQTYVAQFICOOHV-UHFFFAOYSA-N
MW296.73 g/mol
LogP1.93
Rot. Bonds3

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

5-(5-chloro-2-fluorophenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 63342697) has the molecular formula C13H14ClFN4O and a molecular weight of 296.73 g/mol. Its IUPAC name is 5-(5-chloro-2-fluorophenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-chloro-2-fluorophenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID63342697
Molecular FormulaC13H14ClFN4O
Molecular Weight296.73 g/mol
Exact Mass296.08
IUPAC Name5-(5-chloro-2-fluorophenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
SMILESFc1ccc(Cl)cc1-c1nc(CN2CCNCC2)no1
InChIInChI=1S/C13H14ClFN4O/c14-9-1-2-11(15)10(7-9)13-17-12(18-20-13)8-19-5-3-16-4-6-19/h1-2,7,16H,3-6,8H2
InChIKeyOQTYVAQFICOOHV-UHFFFAOYSA-N
XLogP1.93
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.73
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-fluorophenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(5-chloro-2-fluorophenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (CID 63342697) is 5-(5-chloro-2-fluorophenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-chloro-2-fluorophenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-chloro-2-fluorophenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is Fc1ccc(Cl)cc1-c1nc(CN2CCNCC2)no1.
What is the InChIKey of 5-(5-chloro-2-fluorophenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is OQTYVAQFICOOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN4O/c14-9-1-2-11(15)10(7-9)13-17-12(18-20-13)8-19-5-3-16-4-6-19/h1-2,7,16H,3-6,8H2.
What are the key properties of 5-(5-chloro-2-fluorophenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
5-(5-chloro-2-fluorophenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 296.73 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-fluorophenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 63342697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).