3-(1-methylpyrazol-3-yl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole

C13H19N5O — CID 65196262

IUPAC3-(1-methylpyrazol-3-yl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
SMILESCn1ccc(-c2noc(CCC3CCNCC3)n2)n1
InChIInChI=1S/C13H19N5O/c1-18-9-6-11(16-18)13-15-12(19-17-13)3-2-10-4-7-14-8-5-10/h6,9-10,14H,2-5,7-8H2,1H3
InChIKeyAGZJSWIEQIIPOX-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.40
Rot. Bonds4

About 3-(1-methylpyrazol-3-yl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole

3-(1-methylpyrazol-3-yl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole (PubChem CID 65196262) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 3-(1-methylpyrazol-3-yl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methylpyrazol-3-yl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
PubChem CID65196262
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name3-(1-methylpyrazol-3-yl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
SMILESCn1ccc(-c2noc(CCC3CCNCC3)n2)n1
InChIInChI=1S/C13H19N5O/c1-18-9-6-11(16-18)13-15-12(19-17-13)3-2-10-4-7-14-8-5-10/h6,9-10,14H,2-5,7-8H2,1H3
InChIKeyAGZJSWIEQIIPOX-UHFFFAOYSA-N
XLogP1.40
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-3-yl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methylpyrazol-3-yl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole (CID 65196262) is 3-(1-methylpyrazol-3-yl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methylpyrazol-3-yl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methylpyrazol-3-yl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole is Cn1ccc(-c2noc(CCC3CCNCC3)n2)n1.
What is the InChIKey of 3-(1-methylpyrazol-3-yl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole?
The InChIKey is AGZJSWIEQIIPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-18-9-6-11(16-18)13-15-12(19-17-13)3-2-10-4-7-14-8-5-10/h6,9-10,14H,2-5,7-8H2,1H3.
What are the key properties of 3-(1-methylpyrazol-3-yl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole?
3-(1-methylpyrazol-3-yl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole has a molecular weight of 261.33 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-3-yl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 65196262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).