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

C14H22N6O — CID 63343278

IUPAC3-(1-piperazin-1-ylethyl)-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole
SMILESCc1nn(C)c(C)c1-c1nc(C(C)N2CCNCC2)no1
InChIInChI=1S/C14H22N6O/c1-9-12(10(2)19(4)17-9)14-16-13(18-21-14)11(3)20-7-5-15-6-8-20/h11,15H,5-8H2,1-4H3
InChIKeyMZCALUHDUWBMMN-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.05
Rot. Bonds3

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

3-(1-piperazin-1-ylethyl)-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole (PubChem CID 63343278) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-(1-piperazin-1-ylethyl)-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-piperazin-1-ylethyl)-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole
PubChem CID63343278
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name3-(1-piperazin-1-ylethyl)-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole
SMILESCc1nn(C)c(C)c1-c1nc(C(C)N2CCNCC2)no1
InChIInChI=1S/C14H22N6O/c1-9-12(10(2)19(4)17-9)14-16-13(18-21-14)11(3)20-7-5-15-6-8-20/h11,15H,5-8H2,1-4H3
InChIKeyMZCALUHDUWBMMN-UHFFFAOYSA-N
XLogP1.05
TPSA72.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(1-piperazin-1-ylethyl)-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

5-(1,5-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 63343323
5-(5-methyl-1,2-oxazol-4-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 55202377
3-chloro-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole
CID 112571923
5-[3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
CID 136710780
5-(3-bromothiophen-2-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 63796485
5-(4-methoxythiophen-2-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 81124292
5-(2-methoxy-3-pyridinyl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 63343186
N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 62343565
3-(1-piperazin-1-ylethyl)-5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazole
CID 63834040
5-(1,3-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 102802215
1-[1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine
CID 62722324
3-(1-methylpiperazin-2-yl)-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
CID 120957198

Frequently Asked Questions

What is the IUPAC name of 3-(1-piperazin-1-ylethyl)-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-piperazin-1-ylethyl)-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole (CID 63343278) is 3-(1-piperazin-1-ylethyl)-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-piperazin-1-ylethyl)-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-piperazin-1-ylethyl)-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole is Cc1nn(C)c(C)c1-c1nc(C(C)N2CCNCC2)no1.
What is the InChIKey of 3-(1-piperazin-1-ylethyl)-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is MZCALUHDUWBMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-9-12(10(2)19(4)17-9)14-16-13(18-21-14)11(3)20-7-5-15-6-8-20/h11,15H,5-8H2,1-4H3.
What are the key properties of 3-(1-piperazin-1-ylethyl)-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole?
3-(1-piperazin-1-ylethyl)-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 290.37 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-piperazin-1-ylethyl)-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 63343278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).