3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methoxyphenoxy)-3-pyridinyl]propanamide

C23H19ClN4O4 — CID 55763892

About 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methoxyphenoxy)-3-pyridinyl]propanamide

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methoxyphenoxy)-3-pyridinyl]propanamide (PubChem CID 55763892) has the molecular formula C23H19ClN4O4 and a molecular weight of 450.88 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methoxyphenoxy)-3-pyridinyl]propanamide.

Molecular Properties

• Compound Name: 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methoxyphenoxy)-3-pyridinyl]propanamide
• PubChem CID: 55763892
• Molecular Formula: C23H19ClN4O4
• Molecular Weight: 450.88 g/mol
• Exact Mass: 450.11
• IUPAC Name: 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methoxyphenoxy)-3-pyridinyl]propanamide
• SMILES: COc1ccc(Oc2ncccc2NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1
• InChI: InChI=1S/C23H19ClN4O4/c1-30-17-8-10-18(11-9-17)31-23-19(3-2-14-25-23)26-20(29)12-13-21-27-22(28-32-21)15-4-6-16(24)7-5-15/h2-11,14H,12-13H2,1H3,(H,26,29)
• InChIKey: FDQYAKYZHHHHON-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 99.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.88
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methoxyphenoxy)-3-pyridinyl]propanamide?

The IUPAC name of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methoxyphenoxy)-3-pyridinyl]propanamide (CID 55763892) is 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methoxyphenoxy)-3-pyridinyl]propanamide.

What is the SMILES notation for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methoxyphenoxy)-3-pyridinyl]propanamide?

The canonical SMILES for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methoxyphenoxy)-3-pyridinyl]propanamide is COc1ccc(Oc2ncccc2NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1.

What is the InChIKey of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methoxyphenoxy)-3-pyridinyl]propanamide?

The InChIKey is FDQYAKYZHHHHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O4/c1-30-17-8-10-18(11-9-17)31-23-19(3-2-14-25-23)26-20(29)12-13-21-27-22(28-32-21)15-4-6-16(24)7-5-15/h2-11,14H,12-13H2,1H3,(H,26,29).

What are the key properties of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methoxyphenoxy)-3-pyridinyl]propanamide?

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methoxyphenoxy)-3-pyridinyl]propanamide has a molecular weight of 450.88 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methoxyphenoxy)-3-pyridinyl]propanamide is sourced from PubChem (CID 55763892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).