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

C8H11F3N4O — CID 83959785

IUPAC2-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(CN2CCNCC2)o1
InChIInChI=1S/C8H11F3N4O/c9-8(10,11)7-14-13-6(16-7)5-15-3-1-12-2-4-15/h12H,1-5H2
InChIKeyQPMLLWYLEMQZEK-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.49
Rot. Bonds2

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

2-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 83959785) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is 2-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID83959785
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC Name2-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(CN2CCNCC2)o1
InChIInChI=1S/C8H11F3N4O/c9-8(10,11)7-14-13-6(16-7)5-15-3-1-12-2-4-15/h12H,1-5H2
InChIKeyQPMLLWYLEMQZEK-UHFFFAOYSA-N
XLogP0.49
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 83959785) is 2-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole is FC(F)(F)c1nnc(CN2CCNCC2)o1.
What is the InChIKey of 2-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is QPMLLWYLEMQZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c9-8(10,11)7-14-13-6(16-7)5-15-3-1-12-2-4-15/h12H,1-5H2.
What are the key properties of 2-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 236.20 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 83959785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).