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

C14H22N6O — CID 102802215

IUPAC5-(1,3-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
SMILESCCC(c1noc(-c2cn(C)nc2C)n1)N1CCNCC1
InChIInChI=1S/C14H22N6O/c1-4-12(20-7-5-15-6-8-20)13-16-14(21-18-13)11-9-19(3)17-10(11)2/h9,12,15H,4-8H2,1-3H3
InChIKeyYAAVGJUSKVZFIX-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.13
Rot. Bonds4

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

5-(1,3-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole (PubChem CID 102802215) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-(1,3-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1,3-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
PubChem CID102802215
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name5-(1,3-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
SMILESCCC(c1noc(-c2cn(C)nc2C)n1)N1CCNCC1
InChIInChI=1S/C14H22N6O/c1-4-12(20-7-5-15-6-8-20)13-16-14(21-18-13)11-9-19(3)17-10(11)2/h9,12,15H,4-8H2,1-3H3
InChIKeyYAAVGJUSKVZFIX-UHFFFAOYSA-N
XLogP1.13
TPSA72.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2-chlorophenyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 63342891
5-(4-chlorophenyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 63342976
3-(1-chlorobutyl)-5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazole
CID 103096084
5-(5-chlorothiophen-2-yl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 63343104
1-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 102802227
5-(1,1,2,2,2-pentafluoroethyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 104632879
5-(2-methylcyclopropyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 63343286
3-(1-piperazin-1-ylbutyl)-5-pyrimidin-5-yl-1,2,4-oxadiazole
CID 102922597
1-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 102802205
5-(furan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole
CID 63342855
5-(5-methyl-1,2-oxazol-4-yl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 55202377
3-(1-piperazin-1-ylbutyl)-5-pyridazin-4-yl-1,2,4-oxadiazole
CID 104672191

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1,3-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole (CID 102802215) is 5-(1,3-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1,3-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1,3-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole is CCC(c1noc(-c2cn(C)nc2C)n1)N1CCNCC1.
What is the InChIKey of 5-(1,3-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole?
The InChIKey is YAAVGJUSKVZFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-4-12(20-7-5-15-6-8-20)13-16-14(21-18-13)11-9-19(3)17-10(11)2/h9,12,15H,4-8H2,1-3H3.
What are the key properties of 5-(1,3-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole?
5-(1,3-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole has a molecular weight of 290.37 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 102802215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).