2-propyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-oxadiazole

C11H17F3N4O — CID 72909400

IUPAC2-propyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-oxadiazole
SMILESCCCc1nnc(N2CCN(CC(F)(F)F)CC2)o1
InChIInChI=1S/C11H17F3N4O/c1-2-3-9-15-16-10(19-9)18-6-4-17(5-7-18)8-11(12,13)14/h2-8H2,1H3
InChIKeyJJFPFLNGZLIVCS-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.71
Rot. Bonds4

About 2-propyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-oxadiazole

2-propyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-oxadiazole (PubChem CID 72909400) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-propyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-propyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-oxadiazole
PubChem CID72909400
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name2-propyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-oxadiazole
SMILESCCCc1nnc(N2CCN(CC(F)(F)F)CC2)o1
InChIInChI=1S/C11H17F3N4O/c1-2-3-9-15-16-10(19-9)18-6-4-17(5-7-18)8-11(12,13)14/h2-8H2,1H3
InChIKeyJJFPFLNGZLIVCS-UHFFFAOYSA-N
XLogP1.71
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-propyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-oxadiazole (CID 72909400) is 2-propyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-propyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-propyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-oxadiazole is CCCc1nnc(N2CCN(CC(F)(F)F)CC2)o1.
What is the InChIKey of 2-propyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-oxadiazole?
The InChIKey is JJFPFLNGZLIVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-2-3-9-15-16-10(19-9)18-6-4-17(5-7-18)8-11(12,13)14/h2-8H2,1H3.
What are the key properties of 2-propyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-oxadiazole?
2-propyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-oxadiazole has a molecular weight of 278.28 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 72909400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).