5-(3,4-diethoxyphenyl)-3-(2,3-dihydro-1H-indol-4-yl)-1,2,4-oxadiazole

C20H21N3O3 — CID 25110308

IUPAC5-(3,4-diethoxyphenyl)-3-(2,3-dihydro-1H-indol-4-yl)-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2nc(-c3cccc4c3CCN4)no2)cc1OCC
InChIInChI=1S/C20H21N3O3/c1-3-24-17-9-8-13(12-18(17)25-4-2)20-22-19(23-26-20)15-6-5-7-16-14(15)10-11-21-16/h5-9,12,21H,3-4,10-11H2,1-2H3
InChIKeyFBBKDHZKADSFCW-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.17
Rot. Bonds6

About 5-(3,4-diethoxyphenyl)-3-(2,3-dihydro-1H-indol-4-yl)-1,2,4-oxadiazole

5-(3,4-diethoxyphenyl)-3-(2,3-dihydro-1H-indol-4-yl)-1,2,4-oxadiazole (PubChem CID 25110308) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-(3,4-diethoxyphenyl)-3-(2,3-dihydro-1H-indol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,4-diethoxyphenyl)-3-(2,3-dihydro-1H-indol-4-yl)-1,2,4-oxadiazole
PubChem CID25110308
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name5-(3,4-diethoxyphenyl)-3-(2,3-dihydro-1H-indol-4-yl)-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2nc(-c3cccc4c3CCN4)no2)cc1OCC
InChIInChI=1S/C20H21N3O3/c1-3-24-17-9-8-13(12-18(17)25-4-2)20-22-19(23-26-20)15-6-5-7-16-14(15)10-11-21-16/h5-9,12,21H,3-4,10-11H2,1-2H3
InChIKeyFBBKDHZKADSFCW-UHFFFAOYSA-N
XLogP4.17
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-diethoxyphenyl)-3-(2,3-dihydro-1H-indol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3,4-diethoxyphenyl)-3-(2,3-dihydro-1H-indol-4-yl)-1,2,4-oxadiazole (CID 25110308) is 5-(3,4-diethoxyphenyl)-3-(2,3-dihydro-1H-indol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,4-diethoxyphenyl)-3-(2,3-dihydro-1H-indol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,4-diethoxyphenyl)-3-(2,3-dihydro-1H-indol-4-yl)-1,2,4-oxadiazole is CCOc1ccc(-c2nc(-c3cccc4c3CCN4)no2)cc1OCC.
What is the InChIKey of 5-(3,4-diethoxyphenyl)-3-(2,3-dihydro-1H-indol-4-yl)-1,2,4-oxadiazole?
The InChIKey is FBBKDHZKADSFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-3-24-17-9-8-13(12-18(17)25-4-2)20-22-19(23-26-20)15-6-5-7-16-14(15)10-11-21-16/h5-9,12,21H,3-4,10-11H2,1-2H3.
What are the key properties of 5-(3,4-diethoxyphenyl)-3-(2,3-dihydro-1H-indol-4-yl)-1,2,4-oxadiazole?
5-(3,4-diethoxyphenyl)-3-(2,3-dihydro-1H-indol-4-yl)-1,2,4-oxadiazole has a molecular weight of 351.41 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-diethoxyphenyl)-3-(2,3-dihydro-1H-indol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 25110308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).