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

C14H23ClN6O2 — CID 120956117

IUPAC3-(1-methylpiperazin-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole;hydrochloride
SMILESCc1nn(C)c(C)c1OCc1nc(C2CNCCN2C)no1.Cl
InChIInChI=1S/C14H22N6O2.ClH/c1-9-13(10(2)20(4)17-9)21-8-12-16-14(18-22-12)11-7-15-5-6-19(11)3;/h11,15H,5-8H2,1-4H3;1H
InChIKeyVBODQUNVHXGPPP-UHFFFAOYSA-N
MW342.83 g/mol
LogP1.00
Rot. Bonds4

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

3-(1-methylpiperazin-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole;hydrochloride (PubChem CID 120956117) has the molecular formula C14H23ClN6O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 3-(1-methylpiperazin-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(1-methylpiperazin-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole;hydrochloride
PubChem CID120956117
Molecular FormulaC14H23ClN6O2
Molecular Weight342.83 g/mol
Exact Mass342.16
IUPAC Name3-(1-methylpiperazin-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole;hydrochloride
SMILESCc1nn(C)c(C)c1OCc1nc(C2CNCCN2C)no1.Cl
InChIInChI=1S/C14H22N6O2.ClH/c1-9-13(10(2)20(4)17-9)21-8-12-16-14(18-22-12)11-7-15-5-6-19(11)3;/h11,15H,5-8H2,1-4H3;1H
InChIKeyVBODQUNVHXGPPP-UHFFFAOYSA-N
XLogP1.00
TPSA81.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperazin-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(1-methylpiperazin-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole;hydrochloride (CID 120956117) is 3-(1-methylpiperazin-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(1-methylpiperazin-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(1-methylpiperazin-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole;hydrochloride is Cc1nn(C)c(C)c1OCc1nc(C2CNCCN2C)no1.Cl.
What is the InChIKey of 3-(1-methylpiperazin-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole;hydrochloride?
The InChIKey is VBODQUNVHXGPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2.ClH/c1-9-13(10(2)20(4)17-9)21-8-12-16-14(18-22-12)11-7-15-5-6-19(11)3;/h11,15H,5-8H2,1-4H3;1H.
What are the key properties of 3-(1-methylpiperazin-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole;hydrochloride?
3-(1-methylpiperazin-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole;hydrochloride has a molecular weight of 342.83 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperazin-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120956117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).