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

C14H21N5O — CID 83197674

IUPAC3-(1-methylpyrazol-4-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole
SMILESCn1cc(-c2noc(C(C)(C)C3CCCNC3)n2)cn1
InChIInChI=1S/C14H21N5O/c1-14(2,11-5-4-6-15-8-11)13-17-12(18-20-13)10-7-16-19(3)9-10/h7,9,11,15H,4-6,8H2,1-3H3
InChIKeyLQWWSHLMLKPHDY-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.75
Rot. Bonds3

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

3-(1-methylpyrazol-4-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole (PubChem CID 83197674) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole
PubChem CID83197674
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name3-(1-methylpyrazol-4-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole
SMILESCn1cc(-c2noc(C(C)(C)C3CCCNC3)n2)cn1
InChIInChI=1S/C14H21N5O/c1-14(2,11-5-4-6-15-8-11)13-17-12(18-20-13)10-7-16-19(3)9-10/h7,9,11,15H,4-6,8H2,1-3H3
InChIKeyLQWWSHLMLKPHDY-UHFFFAOYSA-N
XLogP1.75
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole (CID 83197674) is 3-(1-methylpyrazol-4-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole is Cn1cc(-c2noc(C(C)(C)C3CCCNC3)n2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole?
The InChIKey is LQWWSHLMLKPHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-14(2,11-5-4-6-15-8-11)13-17-12(18-20-13)10-7-16-19(3)9-10/h7,9,11,15H,4-6,8H2,1-3H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole?
3-(1-methylpyrazol-4-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole has a molecular weight of 275.36 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 83197674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).