N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide

C26H20FN3O3 — CID 36806197

About N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide (PubChem CID 36806197) has the molecular formula C26H20FN3O3 and a molecular weight of 441.46 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide.

Molecular Properties

• Compound Name: N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
• PubChem CID: 36806197
• Molecular Formula: C26H20FN3O3
• Molecular Weight: 441.46 g/mol
• Exact Mass: 441.15
• IUPAC Name: N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
• SMILES: CC(=O)N1CCc2cc(NC(=O)c3ccccc3-c3ncc(-c4ccccc4F)o3)ccc21
• InChI: InChI=1S/C26H20FN3O3/c1-16(31)30-13-12-17-14-18(10-11-23(17)30)29-25(32)19-6-2-3-7-20(19)26-28-15-24(33-26)21-8-4-5-9-22(21)27/h2-11,14-15H,12-13H2,1H3,(H,29,32)
• InChIKey: FQMBJLPSGUDUHH-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 75.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.46
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide?

The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide (CID 36806197) is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide.

What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide?

The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide is CC(=O)N1CCc2cc(NC(=O)c3ccccc3-c3ncc(-c4ccccc4F)o3)ccc21.

What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide?

The InChIKey is FQMBJLPSGUDUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O3/c1-16(31)30-13-12-17-14-18(10-11-23(17)30)29-25(32)19-6-2-3-7-20(19)26-28-15-24(33-26)21-8-4-5-9-22(21)27/h2-11,14-15H,12-13H2,1H3,(H,29,32).

What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide?

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide has a molecular weight of 441.46 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 36806197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).