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

C₁₈H₂₇N₃O — CID 143066868

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

3-cyclohexyl-5-pyridin-4-yl-1,2,4-oxadiazole;pentane (PubChem CID 143066868) has the molecular formula C₁₈H₂₇N₃O and a molecular weight of 301.43 g/mol. Its IUPAC name is 3-cyclohexyl-5-pyridin-4-yl-1,2,4-oxadiazole;pentane.

Molecular Properties

• Compound Name: 3-cyclohexyl-5-pyridin-4-yl-1,2,4-oxadiazole;pentane
• PubChem CID: 143066868
• Molecular Formula: C₁₈H₂₇N₃O
• Molecular Weight: 301.43 g/mol
• Exact Mass: 301.22
• IUPAC Name: 3-cyclohexyl-5-pyridin-4-yl-1,2,4-oxadiazole;pentane
• SMILES: CCCCC.c1cc(-c2nc(C3CCCCC3)no2)ccn1
• InChI: InChI=1S/C13H15N3O.C5H12/c1-2-4-10(5-3-1)12-15-13(17-16-12)11-6-8-14-9-7-11;1-3-5-4-2/h6-10H,1-5H2;3-5H2,1-2H3
• InChIKey: QTQUJOUBVLMPJC-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	301.43
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-pyridin-4-yl-1,2,4-oxadiazole;pentane?

The IUPAC name of 3-cyclohexyl-5-pyridin-4-yl-1,2,4-oxadiazole;pentane (CID 143066868) is 3-cyclohexyl-5-pyridin-4-yl-1,2,4-oxadiazole;pentane.

What is the SMILES notation for 3-cyclohexyl-5-pyridin-4-yl-1,2,4-oxadiazole;pentane?

The canonical SMILES for 3-cyclohexyl-5-pyridin-4-yl-1,2,4-oxadiazole;pentane is CCCCC.c1cc(-c2nc(C3CCCCC3)no2)ccn1.

What is the InChIKey of 3-cyclohexyl-5-pyridin-4-yl-1,2,4-oxadiazole;pentane?

The InChIKey is QTQUJOUBVLMPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O.C5H12/c1-2-4-10(5-3-1)12-15-13(17-16-12)11-6-8-14-9-7-11;1-3-5-4-2/h6-10H,1-5H2;3-5H2,1-2H3.

What are the key properties of 3-cyclohexyl-5-pyridin-4-yl-1,2,4-oxadiazole;pentane?

3-cyclohexyl-5-pyridin-4-yl-1,2,4-oxadiazole;pentane has a molecular weight of 301.43 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclohexyl-5-pyridin-4-yl-1,2,4-oxadiazole;pentane is sourced from PubChem (CID 143066868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143066868 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.