4-[1-cyclobutyl-3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-ethoxyindol-2-yl]aniline

C25H26N4O2 — CID 89344158

About 4-[1-cyclobutyl-3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-ethoxyindol-2-yl]aniline

4-[1-cyclobutyl-3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-ethoxyindol-2-yl]aniline (PubChem CID 89344158) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 4-[1-cyclobutyl-3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-ethoxyindol-2-yl]aniline.

Molecular Properties

• Compound Name: 4-[1-cyclobutyl-3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-ethoxyindol-2-yl]aniline
• PubChem CID: 89344158
• Molecular Formula: C25H26N4O2
• Molecular Weight: 414.51 g/mol
• Exact Mass: 414.21
• IUPAC Name: 4-[1-cyclobutyl-3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-ethoxyindol-2-yl]aniline
• SMILES: CCOc1ccc2c(-c3nnc(C4CC4)o3)c(-c3ccc(N)cc3)n(C3CCC3)c2c1
• InChI: InChI=1S/C25H26N4O2/c1-2-30-19-12-13-20-21(14-19)29(18-4-3-5-18)23(15-8-10-17(26)11-9-15)22(20)25-28-27-24(31-25)16-6-7-16/h8-14,16,18H,2-7,26H2,1H3
• InChIKey: XMZJHLXWPGANAC-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 79.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	414.51
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[1-cyclobutyl-3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-ethoxyindol-2-yl]aniline?

The IUPAC name of 4-[1-cyclobutyl-3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-ethoxyindol-2-yl]aniline (CID 89344158) is 4-[1-cyclobutyl-3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-ethoxyindol-2-yl]aniline.

What is the SMILES notation for 4-[1-cyclobutyl-3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-ethoxyindol-2-yl]aniline?

The canonical SMILES for 4-[1-cyclobutyl-3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-ethoxyindol-2-yl]aniline is CCOc1ccc2c(-c3nnc(C4CC4)o3)c(-c3ccc(N)cc3)n(C3CCC3)c2c1.

What is the InChIKey of 4-[1-cyclobutyl-3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-ethoxyindol-2-yl]aniline?

The InChIKey is XMZJHLXWPGANAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-2-30-19-12-13-20-21(14-19)29(18-4-3-5-18)23(15-8-10-17(26)11-9-15)22(20)25-28-27-24(31-25)16-6-7-16/h8-14,16,18H,2-7,26H2,1H3.

What are the key properties of 4-[1-cyclobutyl-3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-ethoxyindol-2-yl]aniline?

4-[1-cyclobutyl-3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-ethoxyindol-2-yl]aniline has a molecular weight of 414.51 g/mol, XLogP of 5.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-cyclobutyl-3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-ethoxyindol-2-yl]aniline is sourced from PubChem (CID 89344158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).