5-(1-methylpyrazol-4-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole

C11H16N6O — CID 63342184

IUPAC5-(1-methylpyrazol-4-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
SMILESCn1cc(-c2nc(CN3CCNCC3)no2)cn1
InChIInChI=1S/C11H16N6O/c1-16-7-9(6-13-16)11-14-10(15-18-11)8-17-4-2-12-3-5-17/h6-7,12H,2-5,8H2,1H3
InChIKeyIPZJVXNXRRFJTF-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.12
Rot. Bonds3

About 5-(1-methylpyrazol-4-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole

5-(1-methylpyrazol-4-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 63342184) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID63342184
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name5-(1-methylpyrazol-4-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
SMILESCn1cc(-c2nc(CN3CCNCC3)no2)cn1
InChIInChI=1S/C11H16N6O/c1-16-7-9(6-13-16)11-14-10(15-18-11)8-17-4-2-12-3-5-17/h6-7,12H,2-5,8H2,1H3
InChIKeyIPZJVXNXRRFJTF-UHFFFAOYSA-N
XLogP-0.12
TPSA72.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (CID 63342184) is 5-(1-methylpyrazol-4-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is Cn1cc(-c2nc(CN3CCNCC3)no2)cn1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is IPZJVXNXRRFJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-16-7-9(6-13-16)11-14-10(15-18-11)8-17-4-2-12-3-5-17/h6-7,12H,2-5,8H2,1H3.
What are the key properties of 5-(1-methylpyrazol-4-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
5-(1-methylpyrazol-4-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 248.29 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 63342184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).