5-piperazin-1-yl-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole

C9H13F3N4O — CID 118396424

IUPAC5-piperazin-1-yl-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
SMILESFC(F)(F)CCc1noc(N2CCNCC2)n1
InChIInChI=1S/C9H13F3N4O/c10-9(11,12)2-1-7-14-8(17-15-7)16-5-3-13-4-6-16/h13H,1-6H2
InChIKeyBTZMFPBKXHZHDB-UHFFFAOYSA-N
MW250.22 g/mol
LogP0.97
Rot. Bonds3

About 5-piperazin-1-yl-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole

5-piperazin-1-yl-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole (PubChem CID 118396424) has the molecular formula C9H13F3N4O and a molecular weight of 250.22 g/mol. Its IUPAC name is 5-piperazin-1-yl-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-piperazin-1-yl-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
PubChem CID118396424
Molecular FormulaC9H13F3N4O
Molecular Weight250.22 g/mol
Exact Mass250.10
IUPAC Name5-piperazin-1-yl-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
SMILESFC(F)(F)CCc1noc(N2CCNCC2)n1
InChIInChI=1S/C9H13F3N4O/c10-9(11,12)2-1-7-14-8(17-15-7)16-5-3-13-4-6-16/h13H,1-6H2
InChIKeyBTZMFPBKXHZHDB-UHFFFAOYSA-N
XLogP0.97
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-piperazin-1-yl-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole?
The IUPAC name of 5-piperazin-1-yl-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole (CID 118396424) is 5-piperazin-1-yl-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-piperazin-1-yl-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-piperazin-1-yl-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole is FC(F)(F)CCc1noc(N2CCNCC2)n1.
What is the InChIKey of 5-piperazin-1-yl-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole?
The InChIKey is BTZMFPBKXHZHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O/c10-9(11,12)2-1-7-14-8(17-15-7)16-5-3-13-4-6-16/h13H,1-6H2.
What are the key properties of 5-piperazin-1-yl-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole?
5-piperazin-1-yl-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole has a molecular weight of 250.22 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperazin-1-yl-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 118396424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).