3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]propanamide

C24H21N5O4 — CID 55863007

About 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]propanamide

3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]propanamide (PubChem CID 55863007) has the molecular formula C24H21N5O4 and a molecular weight of 443.46 g/mol. Its IUPAC name is 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]propanamide.

Molecular Properties

• Compound Name: 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]propanamide
• PubChem CID: 55863007
• Molecular Formula: C24H21N5O4
• Molecular Weight: 443.46 g/mol
• Exact Mass: 443.16
• IUPAC Name: 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]propanamide
• SMILES: CCOc1ccc(-c2noc(CCC(=O)Nc3ccc4nc(-c5ccco5)[nH]c4c3)n2)cc1
• InChI: InChI=1S/C24H21N5O4/c1-2-31-17-8-5-15(6-9-17)23-28-22(33-29-23)12-11-21(30)25-16-7-10-18-19(14-16)27-24(26-18)20-4-3-13-32-20/h3-10,13-14H,2,11-12H2,1H3,(H,25,30)(H,26,27)
• InChIKey: DGKFRPQAHICFSW-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 119.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.46
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]propanamide?

The IUPAC name of 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]propanamide (CID 55863007) is 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]propanamide.

What is the SMILES notation for 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]propanamide?

The canonical SMILES for 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]propanamide is CCOc1ccc(-c2noc(CCC(=O)Nc3ccc4nc(-c5ccco5)[nH]c4c3)n2)cc1.

What is the InChIKey of 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]propanamide?

The InChIKey is DGKFRPQAHICFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O4/c1-2-31-17-8-5-15(6-9-17)23-28-22(33-29-23)12-11-21(30)25-16-7-10-18-19(14-16)27-24(26-18)20-4-3-13-32-20/h3-10,13-14H,2,11-12H2,1H3,(H,25,30)(H,26,27).

What are the key properties of 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]propanamide?

3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]propanamide has a molecular weight of 443.46 g/mol, XLogP of 4.84, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]propanamide is sourced from PubChem (CID 55863007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).