5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)pyridin-2-amine

C19H14FN5O — CID 53037214

About 5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)pyridin-2-amine

5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)pyridin-2-amine (PubChem CID 53037214) has the molecular formula C19H14FN5O and a molecular weight of 347.35 g/mol. Its IUPAC name is 5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)pyridin-2-amine
• PubChem CID: 53037214
• Molecular Formula: C19H14FN5O
• Molecular Weight: 347.35 g/mol
• Exact Mass: 347.12
• IUPAC Name: 5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)pyridin-2-amine
• SMILES: Fc1cccc(-c2noc(-c3ccc(NCc4ccccn4)nc3)n2)c1
• InChI: InChI=1S/C19H14FN5O/c20-15-5-3-4-13(10-15)18-24-19(26-25-18)14-7-8-17(22-11-14)23-12-16-6-1-2-9-21-16/h1-11H,12H2,(H,22,23)
• InChIKey: VLTDVYHSZVWEST-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 76.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.35
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)pyridin-2-amine?

The IUPAC name of 5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)pyridin-2-amine (CID 53037214) is 5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)pyridin-2-amine.

What is the SMILES notation for 5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)pyridin-2-amine?

The canonical SMILES for 5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)pyridin-2-amine is Fc1cccc(-c2noc(-c3ccc(NCc4ccccn4)nc3)n2)c1.

What is the InChIKey of 5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)pyridin-2-amine?

The InChIKey is VLTDVYHSZVWEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O/c20-15-5-3-4-13(10-15)18-24-19(26-25-18)14-7-8-17(22-11-14)23-12-16-6-1-2-9-21-16/h1-11H,12H2,(H,22,23).

What are the key properties of 5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)pyridin-2-amine?

5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)pyridin-2-amine has a molecular weight of 347.35 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 53037214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).