5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole

C8H13N3O — CID 106743325

IUPAC5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCC1CC(c2ncno2)CCN1
InChIInChI=1S/C8H13N3O/c1-6-4-7(2-3-9-6)8-10-5-11-12-8/h5-7,9H,2-4H2,1H3
InChIKeyGEZMQZPCBZNOAD-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.93
Rot. Bonds1

About 5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole

5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 106743325) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID106743325
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCC1CC(c2ncno2)CCN1
InChIInChI=1S/C8H13N3O/c1-6-4-7(2-3-9-6)8-10-5-11-12-8/h5-7,9H,2-4H2,1H3
InChIKeyGEZMQZPCBZNOAD-UHFFFAOYSA-N
XLogP0.93
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole (CID 106743325) is 5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole is CC1CC(c2ncno2)CCN1.
What is the InChIKey of 5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is GEZMQZPCBZNOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6-4-7(2-3-9-6)8-10-5-11-12-8/h5-7,9H,2-4H2,1H3.
What are the key properties of 5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole?
5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 167.21 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 106743325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).