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

C13H15N3O — CID 647706

IUPAC2-cyclohexyl-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESc1cncc(-c2nnc(C3CCCCC3)o2)c1
InChIInChI=1S/C13H15N3O/c1-2-5-10(6-3-1)12-15-16-13(17-12)11-7-4-8-14-9-11/h4,7-10H,1-3,5-6H2
InChIKeyADQJWOPHFFBVBL-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.18
Rot. Bonds2

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

2-cyclohexyl-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 647706) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-cyclohexyl-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclohexyl-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID647706
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-cyclohexyl-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESc1cncc(-c2nnc(C3CCCCC3)o2)c1
InChIInChI=1S/C13H15N3O/c1-2-5-10(6-3-1)12-15-16-13(17-12)11-7-4-8-14-9-11/h4,7-10H,1-3,5-6H2
InChIKeyADQJWOPHFFBVBL-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 2-cyclohexyl-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-cyclohexyl-5-pyridin-3-yl-1,3,4-oxadiazole (CID 647706) is 2-cyclohexyl-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclohexyl-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclohexyl-5-pyridin-3-yl-1,3,4-oxadiazole is c1cncc(-c2nnc(C3CCCCC3)o2)c1.
What is the InChIKey of 2-cyclohexyl-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is ADQJWOPHFFBVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-5-10(6-3-1)12-15-16-13(17-12)11-7-4-8-14-9-11/h4,7-10H,1-3,5-6H2.
What are the key properties of 2-cyclohexyl-5-pyridin-3-yl-1,3,4-oxadiazole?
2-cyclohexyl-5-pyridin-3-yl-1,3,4-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 2-cyclohexyl-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 647706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).