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

C13H15N3O — CID 877119

IUPAC5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1cc(-c2noc(C3CCCCC3)n2)ccn1
InChIInChI=1S/C13H15N3O/c1-2-4-11(5-3-1)13-15-12(16-17-13)10-6-8-14-9-7-10/h6-9,11H,1-5H2
InChIKeyXXTHMVRJMJIERU-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.18
Rot. Bonds2

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

5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 877119) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID877119
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1cc(-c2noc(C3CCCCC3)n2)ccn1
InChIInChI=1S/C13H15N3O/c1-2-4-11(5-3-1)13-15-12(16-17-13)10-6-8-14-9-7-10/h6-9,11H,1-5H2
InChIKeyXXTHMVRJMJIERU-UHFFFAOYSA-N
XLogP3.18
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole (CID 877119) is 5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole is c1cc(-c2noc(C3CCCCC3)n2)ccn1.
What is the InChIKey of 5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is XXTHMVRJMJIERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-4-11(5-3-1)13-15-12(16-17-13)10-6-8-14-9-7-10/h6-9,11H,1-5H2.
What are the key properties of 5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole?
5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 229.28 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 877119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).