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

C25H26N4O2 — CID 89344158

IUPAC4-[1-cyclobutyl-3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-ethoxyindol-2-yl]aniline
SMILESCCOc1ccc2c(-c3nnc(C4CC4)o3)c(-c3ccc(N)cc3)n(C3CCC3)c2c1
InChIInChI=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
InChIKeyXMZJHLXWPGANAC-UHFFFAOYSA-N
MW414.51 g/mol
LogP5.94
Rot. Bonds6

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 Name4-[1-cyclobutyl-3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-ethoxyindol-2-yl]aniline
PubChem CID89344158
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name4-[1-cyclobutyl-3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-ethoxyindol-2-yl]aniline
SMILESCCOc1ccc2c(-c3nnc(C4CC4)o3)c(-c3ccc(N)cc3)n(C3CCC3)c2c1
InChIInChI=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
InChIKeyXMZJHLXWPGANAC-UHFFFAOYSA-N
XLogP5.94
TPSA79.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).