5-(5-azaspiro[2.4]heptan-2-yl)-3-[6-(4-fluorophenoxy)-3-pyridinyl]-1,2,4-oxadiazole;hydrochloride

C19H18ClFN4O2 — CID 120840549

About 5-(5-azaspiro[2.4]heptan-2-yl)-3-[6-(4-fluorophenoxy)-3-pyridinyl]-1,2,4-oxadiazole;hydrochloride

5-(5-azaspiro[2.4]heptan-2-yl)-3-[6-(4-fluorophenoxy)-3-pyridinyl]-1,2,4-oxadiazole;hydrochloride (PubChem CID 120840549) has the molecular formula C19H18ClFN4O2 and a molecular weight of 388.83 g/mol. Its IUPAC name is 5-(5-azaspiro[2.4]heptan-2-yl)-3-[6-(4-fluorophenoxy)-3-pyridinyl]-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

• Compound Name: 5-(5-azaspiro[2.4]heptan-2-yl)-3-[6-(4-fluorophenoxy)-3-pyridinyl]-1,2,4-oxadiazole;hydrochloride
• PubChem CID: 120840549
• Molecular Formula: C19H18ClFN4O2
• Molecular Weight: 388.83 g/mol
• Exact Mass: 388.11
• IUPAC Name: 5-(5-azaspiro[2.4]heptan-2-yl)-3-[6-(4-fluorophenoxy)-3-pyridinyl]-1,2,4-oxadiazole;hydrochloride
• SMILES: Cl.Fc1ccc(Oc2ccc(-c3noc(C4CC45CCNC5)n3)cn2)cc1
• InChI: InChI=1S/C19H17FN4O2.ClH/c20-13-2-4-14(5-3-13)25-16-6-1-12(10-22-16)17-23-18(26-24-17)15-9-19(15)7-8-21-11-19;/h1-6,10,15,21H,7-9,11H2;1H
• InChIKey: ZWLBMNRTHPBJCD-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 73.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.83
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(5-azaspiro[2.4]heptan-2-yl)-3-[6-(4-fluorophenoxy)-3-pyridinyl]-1,2,4-oxadiazole;hydrochloride?

The IUPAC name of 5-(5-azaspiro[2.4]heptan-2-yl)-3-[6-(4-fluorophenoxy)-3-pyridinyl]-1,2,4-oxadiazole;hydrochloride (CID 120840549) is 5-(5-azaspiro[2.4]heptan-2-yl)-3-[6-(4-fluorophenoxy)-3-pyridinyl]-1,2,4-oxadiazole;hydrochloride.

What is the SMILES notation for 5-(5-azaspiro[2.4]heptan-2-yl)-3-[6-(4-fluorophenoxy)-3-pyridinyl]-1,2,4-oxadiazole;hydrochloride?

The canonical SMILES for 5-(5-azaspiro[2.4]heptan-2-yl)-3-[6-(4-fluorophenoxy)-3-pyridinyl]-1,2,4-oxadiazole;hydrochloride is Cl.Fc1ccc(Oc2ccc(-c3noc(C4CC45CCNC5)n3)cn2)cc1.

What is the InChIKey of 5-(5-azaspiro[2.4]heptan-2-yl)-3-[6-(4-fluorophenoxy)-3-pyridinyl]-1,2,4-oxadiazole;hydrochloride?

The InChIKey is ZWLBMNRTHPBJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2.ClH/c20-13-2-4-14(5-3-13)25-16-6-1-12(10-22-16)17-23-18(26-24-17)15-9-19(15)7-8-21-11-19;/h1-6,10,15,21H,7-9,11H2;1H.

What are the key properties of 5-(5-azaspiro[2.4]heptan-2-yl)-3-[6-(4-fluorophenoxy)-3-pyridinyl]-1,2,4-oxadiazole;hydrochloride?

5-(5-azaspiro[2.4]heptan-2-yl)-3-[6-(4-fluorophenoxy)-3-pyridinyl]-1,2,4-oxadiazole;hydrochloride has a molecular weight of 388.83 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-azaspiro[2.4]heptan-2-yl)-3-[6-(4-fluorophenoxy)-3-pyridinyl]-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120840549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).