5-(3,4-diethoxyphenyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole

C20H19N3O3 — CID 25110309

IUPAC5-(3,4-diethoxyphenyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2nc(-c3ccc4cc[nH]c4c3)no2)cc1OCC
InChIInChI=1S/C20H19N3O3/c1-3-24-17-8-7-15(12-18(17)25-4-2)20-22-19(23-26-20)14-6-5-13-9-10-21-16(13)11-14/h5-12,21H,3-4H2,1-2H3
InChIKeyVVONTQSREVXYJR-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.68
Rot. Bonds6

About 5-(3,4-diethoxyphenyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole

5-(3,4-diethoxyphenyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole (PubChem CID 25110309) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 5-(3,4-diethoxyphenyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,4-diethoxyphenyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole
PubChem CID25110309
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name5-(3,4-diethoxyphenyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2nc(-c3ccc4cc[nH]c4c3)no2)cc1OCC
InChIInChI=1S/C20H19N3O3/c1-3-24-17-8-7-15(12-18(17)25-4-2)20-22-19(23-26-20)14-6-5-13-9-10-21-16(13)11-14/h5-12,21H,3-4H2,1-2H3
InChIKeyVVONTQSREVXYJR-UHFFFAOYSA-N
XLogP4.68
TPSA73.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-diethoxyphenyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3,4-diethoxyphenyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole (CID 25110309) is 5-(3,4-diethoxyphenyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,4-diethoxyphenyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,4-diethoxyphenyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole is CCOc1ccc(-c2nc(-c3ccc4cc[nH]c4c3)no2)cc1OCC.
What is the InChIKey of 5-(3,4-diethoxyphenyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole?
The InChIKey is VVONTQSREVXYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-3-24-17-8-7-15(12-18(17)25-4-2)20-22-19(23-26-20)14-6-5-13-9-10-21-16(13)11-14/h5-12,21H,3-4H2,1-2H3.
What are the key properties of 5-(3,4-diethoxyphenyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole?
5-(3,4-diethoxyphenyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole has a molecular weight of 349.39 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-diethoxyphenyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 25110309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).