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

C11H17F3N4O — CID 63343458

IUPAC3-(2-piperazin-1-ylpropan-2-yl)-5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
SMILESCC(C)(c1noc(CC(F)(F)F)n1)N1CCNCC1
InChIInChI=1S/C11H17F3N4O/c1-10(2,18-5-3-15-4-6-18)9-16-8(19-17-9)7-11(12,13)14/h15H,3-7H2,1-2H3
InChIKeyRJDOOEACYYXFGS-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.31
Rot. Bonds3

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

3-(2-piperazin-1-ylpropan-2-yl)-5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole (PubChem CID 63343458) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is 3-(2-piperazin-1-ylpropan-2-yl)-5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-piperazin-1-ylpropan-2-yl)-5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
PubChem CID63343458
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name3-(2-piperazin-1-ylpropan-2-yl)-5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
SMILESCC(C)(c1noc(CC(F)(F)F)n1)N1CCNCC1
InChIInChI=1S/C11H17F3N4O/c1-10(2,18-5-3-15-4-6-18)9-16-8(19-17-9)7-11(12,13)14/h15H,3-7H2,1-2H3
InChIKeyRJDOOEACYYXFGS-UHFFFAOYSA-N
XLogP1.31
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclopentylmethyl)-3-(2-piperazin-1-ylpropan-2-yl)-1,2,4-oxadiazole
CID 63342811
3-(2-piperazin-1-ylpropan-2-yl)-5-propan-2-yl-1,2,4-oxadiazole
CID 63343418
5-(1-methylpyrazol-3-yl)-3-(2-piperazin-1-ylpropan-2-yl)-1,2,4-oxadiazole
CID 103121926
3-(2-piperazin-1-ylpropan-2-yl)-5-pyridin-3-yl-1,2,4-oxadiazole
CID 63343116
5-(1,4-diazepan-1-ylmethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
CID 79203025
4-ethyl-2-(2-piperazin-1-ylpropan-2-yl)-6-propan-2-ylpyrimidine
CID 63343044
5-piperazin-1-yl-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 118396424
1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 116740710
1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 79202486
4-cyclopropyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine
CID 63342953
3-(2-ethoxybutan-2-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 116740597
5-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 171533011

Frequently Asked Questions

What is the IUPAC name of 3-(2-piperazin-1-ylpropan-2-yl)-5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-piperazin-1-ylpropan-2-yl)-5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole (CID 63343458) is 3-(2-piperazin-1-ylpropan-2-yl)-5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-piperazin-1-ylpropan-2-yl)-5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-piperazin-1-ylpropan-2-yl)-5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole is CC(C)(c1noc(CC(F)(F)F)n1)N1CCNCC1.
What is the InChIKey of 3-(2-piperazin-1-ylpropan-2-yl)-5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The InChIKey is RJDOOEACYYXFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-10(2,18-5-3-15-4-6-18)9-16-8(19-17-9)7-11(12,13)14/h15H,3-7H2,1-2H3.
What are the key properties of 3-(2-piperazin-1-ylpropan-2-yl)-5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
3-(2-piperazin-1-ylpropan-2-yl)-5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole has a molecular weight of 278.28 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperazin-1-ylpropan-2-yl)-5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 63343458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).