[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate

C28H24N4O5 — CID 24518984

About [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate

[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate (PubChem CID 24518984) has the molecular formula C28H24N4O5 and a molecular weight of 496.52 g/mol. Its IUPAC name is [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate.

Molecular Properties

• Compound Name: [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
• PubChem CID: 24518984
• Molecular Formula: C28H24N4O5
• Molecular Weight: 496.52 g/mol
• Exact Mass: 496.17
• IUPAC Name: [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
• SMILES: CC(=O)N1CCc2cc(NC(=O)COC(=O)c3ccc(-c4nnc(-c5ccc(C)cc5)o4)cc3)ccc21
• InChI: InChI=1S/C28H24N4O5/c1-17-3-5-19(6-4-17)26-30-31-27(37-26)20-7-9-21(10-8-20)28(35)36-16-25(34)29-23-11-12-24-22(15-23)13-14-32(24)18(2)33/h3-12,15H,13-14,16H2,1-2H3,(H,29,34)
• InChIKey: IRIMGSJCALCMAH-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 114.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.52
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate?

The IUPAC name of [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate (CID 24518984) is [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate.

What is the SMILES notation for [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate?

The canonical SMILES for [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate is CC(=O)N1CCc2cc(NC(=O)COC(=O)c3ccc(-c4nnc(-c5ccc(C)cc5)o4)cc3)ccc21.

What is the InChIKey of [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate?

The InChIKey is IRIMGSJCALCMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O5/c1-17-3-5-19(6-4-17)26-30-31-27(37-26)20-7-9-21(10-8-20)28(35)36-16-25(34)29-23-11-12-24-22(15-23)13-14-32(24)18(2)33/h3-12,15H,13-14,16H2,1-2H3,(H,29,34).

What are the key properties of [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate?

[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate has a molecular weight of 496.52 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate is sourced from PubChem (CID 24518984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).