2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-N,N-diethylethanamine

C26H34N4O3 — CID 25110402

IUPAC2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-N,N-diethylethanamine
SMILESCCOc1ccc(-c2nc(-c3cccc4c3CCN4CCN(CC)CC)no2)cc1OCC
InChIInChI=1S/C26H34N4O3/c1-5-29(6-2)16-17-30-15-14-20-21(10-9-11-22(20)30)25-27-26(33-28-25)19-12-13-23(31-7-3)24(18-19)32-8-4/h9-13,18H,5-8,14-17H2,1-4H3
InChIKeyKTJOGYGCAHFVMW-UHFFFAOYSA-N
MW450.58 g/mol
LogP4.91
Rot. Bonds11

About 2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-N,N-diethylethanamine

2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-N,N-diethylethanamine (PubChem CID 25110402) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is 2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-N,N-diethylethanamine
PubChem CID25110402
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC Name2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-N,N-diethylethanamine
SMILESCCOc1ccc(-c2nc(-c3cccc4c3CCN4CCN(CC)CC)no2)cc1OCC
InChIInChI=1S/C26H34N4O3/c1-5-29(6-2)16-17-30-15-14-20-21(10-9-11-22(20)30)25-27-26(33-28-25)19-12-13-23(31-7-3)24(18-19)32-8-4/h9-13,18H,5-8,14-17H2,1-4H3
InChIKeyKTJOGYGCAHFVMW-UHFFFAOYSA-N
XLogP4.91
TPSA63.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-N,N-diethylethanamine 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 2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-N,N-diethylethanamine?
The IUPAC name of 2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-N,N-diethylethanamine (CID 25110402) is 2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-N,N-diethylethanamine.
What is the SMILES notation for 2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-N,N-diethylethanamine?
The canonical SMILES for 2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-N,N-diethylethanamine is CCOc1ccc(-c2nc(-c3cccc4c3CCN4CCN(CC)CC)no2)cc1OCC.
What is the InChIKey of 2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-N,N-diethylethanamine?
The InChIKey is KTJOGYGCAHFVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-5-29(6-2)16-17-30-15-14-20-21(10-9-11-22(20)30)25-27-26(33-28-25)19-12-13-23(31-7-3)24(18-19)32-8-4/h9-13,18H,5-8,14-17H2,1-4H3.
What are the key properties of 2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-N,N-diethylethanamine?
2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-N,N-diethylethanamine has a molecular weight of 450.58 g/mol, XLogP of 4.91, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-N,N-diethylethanamine is sourced from PubChem (CID 25110402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).