3-(1-methylpiperazin-2-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole;hydrochloride

C15H25ClN6O — CID 120960686

IUPAC3-(1-methylpiperazin-2-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole;hydrochloride
SMILESCc1nn(C)c(C)c1CCc1nc(C2CNCCN2C)no1.Cl
InChIInChI=1S/C15H24N6O.ClH/c1-10-12(11(2)21(4)18-10)5-6-14-17-15(19-22-14)13-9-16-7-8-20(13)3;/h13,16H,5-9H2,1-4H3;1H
InChIKeyCUTXNOMRECTHMW-UHFFFAOYSA-N
MW340.86 g/mol
LogP1.20
Rot. Bonds4

About 3-(1-methylpiperazin-2-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole;hydrochloride

3-(1-methylpiperazin-2-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole;hydrochloride (PubChem CID 120960686) has the molecular formula C15H25ClN6O and a molecular weight of 340.86 g/mol. Its IUPAC name is 3-(1-methylpiperazin-2-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(1-methylpiperazin-2-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole;hydrochloride
PubChem CID120960686
Molecular FormulaC15H25ClN6O
Molecular Weight340.86 g/mol
Exact Mass340.18
IUPAC Name3-(1-methylpiperazin-2-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole;hydrochloride
SMILESCc1nn(C)c(C)c1CCc1nc(C2CNCCN2C)no1.Cl
InChIInChI=1S/C15H24N6O.ClH/c1-10-12(11(2)21(4)18-10)5-6-14-17-15(19-22-14)13-9-16-7-8-20(13)3;/h13,16H,5-9H2,1-4H3;1H
InChIKeyCUTXNOMRECTHMW-UHFFFAOYSA-N
XLogP1.20
TPSA72.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956845
5-[2-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960099
3-(1-methylpiperazin-2-yl)-5-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole
CID 120958589
5-(2-ethoxyethyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960102
3-(oxolan-3-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole
CID 72933378
3-(1-methylpiperazin-2-yl)-5-(2-thiophen-3-ylethyl)-1,2,4-oxadiazole;hydrochloride
CID 120958159
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanylmethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959080
5-[2-(2,3-difluorophenyl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959984
3-(1-methylpiperazin-2-yl)-5-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazole;hydrochloride
CID 120961594
5-[2-(4-tert-butylphenyl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960505
3-(1-methylpiperazin-2-yl)-5-(2-naphthalen-2-ylethyl)-1,2,4-oxadiazole;hydrochloride
CID 120957131
5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960836

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperazin-2-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(1-methylpiperazin-2-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole;hydrochloride (CID 120960686) is 3-(1-methylpiperazin-2-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(1-methylpiperazin-2-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(1-methylpiperazin-2-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole;hydrochloride is Cc1nn(C)c(C)c1CCc1nc(C2CNCCN2C)no1.Cl.
What is the InChIKey of 3-(1-methylpiperazin-2-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole;hydrochloride?
The InChIKey is CUTXNOMRECTHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O.ClH/c1-10-12(11(2)21(4)18-10)5-6-14-17-15(19-22-14)13-9-16-7-8-20(13)3;/h13,16H,5-9H2,1-4H3;1H.
What are the key properties of 3-(1-methylpiperazin-2-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole;hydrochloride?
3-(1-methylpiperazin-2-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole;hydrochloride has a molecular weight of 340.86 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperazin-2-yl)-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120960686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).