3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]propanamide

C24H22N4O6 — CID 55886585

About 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]propanamide

3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]propanamide (PubChem CID 55886585) has the molecular formula C24H22N4O6 and a molecular weight of 462.46 g/mol. Its IUPAC name is 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]propanamide.

Molecular Properties

• Compound Name: 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]propanamide
• PubChem CID: 55886585
• Molecular Formula: C24H22N4O6
• Molecular Weight: 462.46 g/mol
• Exact Mass: 462.15
• IUPAC Name: 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]propanamide
• SMILES: COc1ccccc1OCC(=O)Nc1cccc(NC(=O)CCc2nc(-c3ccco3)no2)c1
• InChI: InChI=1S/C24H22N4O6/c1-31-18-8-2-3-9-19(18)33-15-22(30)26-17-7-4-6-16(14-17)25-21(29)11-12-23-27-24(28-34-23)20-10-5-13-32-20/h2-10,13-14H,11-12,15H2,1H3,(H,25,29)(H,26,30)
• InChIKey: SPKOJARCLMDFKB-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 128.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.46
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]propanamide?

The IUPAC name of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]propanamide (CID 55886585) is 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]propanamide.

What is the SMILES notation for 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]propanamide?

The canonical SMILES for 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]propanamide is COc1ccccc1OCC(=O)Nc1cccc(NC(=O)CCc2nc(-c3ccco3)no2)c1.

What is the InChIKey of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]propanamide?

The InChIKey is SPKOJARCLMDFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O6/c1-31-18-8-2-3-9-19(18)33-15-22(30)26-17-7-4-6-16(14-17)25-21(29)11-12-23-27-24(28-34-23)20-10-5-13-32-20/h2-10,13-14H,11-12,15H2,1H3,(H,25,29)(H,26,30).

What are the key properties of 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]propanamide?

3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]propanamide has a molecular weight of 462.46 g/mol, XLogP of 3.93, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 55886585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).