5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide

C25H19N3O5 — CID 26686873

About 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide

5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide (PubChem CID 26686873) has the molecular formula C25H19N3O5 and a molecular weight of 441.44 g/mol. Its IUPAC name is 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

• Compound Name: 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
• PubChem CID: 26686873
• Molecular Formula: C25H19N3O5
• Molecular Weight: 441.44 g/mol
• Exact Mass: 441.13
• IUPAC Name: 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
• SMILES: COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1ccc2oc(C)nc2c1
• InChI: InChI=1S/C25H19N3O5/c1-14-26-20-12-16(8-10-22(20)33-14)27-23(29)19-11-15(7-9-21(19)32-2)13-28-24(30)17-5-3-4-6-18(17)25(28)31/h3-12H,13H2,1-2H3,(H,27,29)
• InChIKey: SJAGPRXEPUEEMF-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 101.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.44
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?

The IUPAC name of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide (CID 26686873) is 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide.

What is the SMILES notation for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?

The canonical SMILES for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide is COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1ccc2oc(C)nc2c1.

What is the InChIKey of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?

The InChIKey is SJAGPRXEPUEEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O5/c1-14-26-20-12-16(8-10-22(20)33-14)27-23(29)19-11-15(7-9-21(19)32-2)13-28-24(30)17-5-3-4-6-18(17)25(28)31/h3-12H,13H2,1-2H3,(H,27,29).

What are the key properties of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?

5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 441.44 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 26686873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).