5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[3-(1,2,4-oxadiazol-5-yl)propyl]benzamide

C23H22N4O5 — CID 71850059

About 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[3-(1,2,4-oxadiazol-5-yl)propyl]benzamide

5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[3-(1,2,4-oxadiazol-5-yl)propyl]benzamide (PubChem CID 71850059) has the molecular formula C23H22N4O5 and a molecular weight of 434.45 g/mol. Its IUPAC name is 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[3-(1,2,4-oxadiazol-5-yl)propyl]benzamide.

Molecular Properties

• Compound Name: 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[3-(1,2,4-oxadiazol-5-yl)propyl]benzamide
• PubChem CID: 71850059
• Molecular Formula: C23H22N4O5
• Molecular Weight: 434.45 g/mol
• Exact Mass: 434.16
• IUPAC Name: 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[3-(1,2,4-oxadiazol-5-yl)propyl]benzamide
• SMILES: CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NCCCc1ncno1
• InChI: InChI=1S/C23H22N4O5/c1-2-31-19-10-9-15(13-27-22(29)16-6-3-4-7-17(16)23(27)30)12-18(19)21(28)24-11-5-8-20-25-14-26-32-20/h3-4,6-7,9-10,12,14H,2,5,8,11,13H2,1H3,(H,24,28)
• InChIKey: ZZRCWPRSKVMYNR-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 114.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.45
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[3-(1,2,4-oxadiazol-5-yl)propyl]benzamide?

The IUPAC name of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[3-(1,2,4-oxadiazol-5-yl)propyl]benzamide (CID 71850059) is 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[3-(1,2,4-oxadiazol-5-yl)propyl]benzamide.

What is the SMILES notation for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[3-(1,2,4-oxadiazol-5-yl)propyl]benzamide?

The canonical SMILES for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[3-(1,2,4-oxadiazol-5-yl)propyl]benzamide is CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NCCCc1ncno1.

What is the InChIKey of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[3-(1,2,4-oxadiazol-5-yl)propyl]benzamide?

The InChIKey is ZZRCWPRSKVMYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O5/c1-2-31-19-10-9-15(13-27-22(29)16-6-3-4-7-17(16)23(27)30)12-18(19)21(28)24-11-5-8-20-25-14-26-32-20/h3-4,6-7,9-10,12,14H,2,5,8,11,13H2,1H3,(H,24,28).

What are the key properties of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[3-(1,2,4-oxadiazol-5-yl)propyl]benzamide?

5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[3-(1,2,4-oxadiazol-5-yl)propyl]benzamide has a molecular weight of 434.45 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[3-(1,2,4-oxadiazol-5-yl)propyl]benzamide is sourced from PubChem (CID 71850059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).