5-piperidin-4-yl-3-pyridin-4-yl-1,2,4-oxadiazole

C12H14N4O — CID 2761143

IUPAC5-piperidin-4-yl-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1cc(-c2noc(C3CCNCC3)n2)ccn1
InChIInChI=1S/C12H14N4O/c1-5-13-6-2-9(1)11-15-12(17-16-11)10-3-7-14-8-4-10/h1-2,5-6,10,14H,3-4,7-8H2
InChIKeyOAAGDVLVOKMRCQ-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.60
Rot. Bonds2

About 5-piperidin-4-yl-3-pyridin-4-yl-1,2,4-oxadiazole

5-piperidin-4-yl-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 2761143) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-piperidin-4-yl-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-piperidin-4-yl-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID2761143
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name5-piperidin-4-yl-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1cc(-c2noc(C3CCNCC3)n2)ccn1
InChIInChI=1S/C12H14N4O/c1-5-13-6-2-9(1)11-15-12(17-16-11)10-3-7-14-8-4-10/h1-2,5-6,10,14H,3-4,7-8H2
InChIKeyOAAGDVLVOKMRCQ-UHFFFAOYSA-N
XLogP1.60
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-4-yl-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-piperidin-4-yl-3-pyridin-4-yl-1,2,4-oxadiazole (CID 2761143) is 5-piperidin-4-yl-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-piperidin-4-yl-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-piperidin-4-yl-3-pyridin-4-yl-1,2,4-oxadiazole is c1cc(-c2noc(C3CCNCC3)n2)ccn1.
What is the InChIKey of 5-piperidin-4-yl-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is OAAGDVLVOKMRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-5-13-6-2-9(1)11-15-12(17-16-11)10-3-7-14-8-4-10/h1-2,5-6,10,14H,3-4,7-8H2.
What are the key properties of 5-piperidin-4-yl-3-pyridin-4-yl-1,2,4-oxadiazole?
5-piperidin-4-yl-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 230.27 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-4-yl-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 2761143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).