1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]-N-methylmethanamine

C22H24N4O3 — CID 25110403

IUPAC1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]-N-methylmethanamine
SMILESCCOc1ccc(-c2nc(-c3cccc4[nH]cc(CNC)c34)no2)cc1OCC
InChIInChI=1S/C22H24N4O3/c1-4-27-18-10-9-14(11-19(18)28-5-2)22-25-21(26-29-22)16-7-6-8-17-20(16)15(12-23-3)13-24-17/h6-11,13,23-24H,4-5,12H2,1-3H3
InChIKeySKVGXIJSVHUWAT-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.40
Rot. Bonds8

About 1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]-N-methylmethanamine

1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]-N-methylmethanamine (PubChem CID 25110403) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]-N-methylmethanamine
PubChem CID25110403
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]-N-methylmethanamine
SMILESCCOc1ccc(-c2nc(-c3cccc4[nH]cc(CNC)c34)no2)cc1OCC
InChIInChI=1S/C22H24N4O3/c1-4-27-18-10-9-14(11-19(18)28-5-2)22-25-21(26-29-22)16-7-6-8-17-20(16)15(12-23-3)13-24-17/h6-11,13,23-24H,4-5,12H2,1-3H3
InChIKeySKVGXIJSVHUWAT-UHFFFAOYSA-N
XLogP4.40
TPSA85.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]-N-methylmethanamine 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 1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]-N-methylmethanamine (CID 25110403) is 1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]-N-methylmethanamine is CCOc1ccc(-c2nc(-c3cccc4[nH]cc(CNC)c34)no2)cc1OCC.
What is the InChIKey of 1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]-N-methylmethanamine?
The InChIKey is SKVGXIJSVHUWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-4-27-18-10-9-14(11-19(18)28-5-2)22-25-21(26-29-22)16-7-6-8-17-20(16)15(12-23-3)13-24-17/h6-11,13,23-24H,4-5,12H2,1-3H3.
What are the key properties of 1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]-N-methylmethanamine?
1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]-N-methylmethanamine has a molecular weight of 392.46 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 25110403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).