5-(2-methoxy-3-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole

C13H16N4O2 — CID 55023638

IUPAC5-(2-methoxy-3-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole
SMILESCOc1ncccc1-c1nc(C2CCCCN2)no1
InChIInChI=1S/C13H16N4O2/c1-18-12-9(5-4-8-15-12)13-16-11(17-19-13)10-6-2-3-7-14-10/h4-5,8,10,14H,2-3,6-7H2,1H3
InChIKeyVSAVSKSNCZPNDG-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.95
Rot. Bonds3

About 5-(2-methoxy-3-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole

5-(2-methoxy-3-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole (PubChem CID 55023638) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-(2-methoxy-3-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methoxy-3-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole
PubChem CID55023638
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name5-(2-methoxy-3-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole
SMILESCOc1ncccc1-c1nc(C2CCCCN2)no1
InChIInChI=1S/C13H16N4O2/c1-18-12-9(5-4-8-15-12)13-16-11(17-19-13)10-6-2-3-7-14-10/h4-5,8,10,14H,2-3,6-7H2,1H3
InChIKeyVSAVSKSNCZPNDG-UHFFFAOYSA-N
XLogP1.95
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-3-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methoxy-3-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole (CID 55023638) is 5-(2-methoxy-3-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methoxy-3-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methoxy-3-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole is COc1ncccc1-c1nc(C2CCCCN2)no1.
What is the InChIKey of 5-(2-methoxy-3-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole?
The InChIKey is VSAVSKSNCZPNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-18-12-9(5-4-8-15-12)13-16-11(17-19-13)10-6-2-3-7-14-10/h4-5,8,10,14H,2-3,6-7H2,1H3.
What are the key properties of 5-(2-methoxy-3-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole?
5-(2-methoxy-3-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole has a molecular weight of 260.30 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-3-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 55023638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).