5-(3,4-diethoxyphenyl)-3-(1-methyl-2,3-dihydroindol-4-yl)-1,2,4-oxadiazole

C21H23N3O3 — CID 59145467

IUPAC5-(3,4-diethoxyphenyl)-3-(1-methyl-2,3-dihydroindol-4-yl)-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2nc(-c3cccc4c3CCN4C)no2)cc1OCC
InChIInChI=1S/C21H23N3O3/c1-4-25-18-10-9-14(13-19(18)26-5-2)21-22-20(23-27-21)16-7-6-8-17-15(16)11-12-24(17)3/h6-10,13H,4-5,11-12H2,1-3H3
InChIKeyODSZKNCDSHRYJO-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.19
Rot. Bonds6

About 5-(3,4-diethoxyphenyl)-3-(1-methyl-2,3-dihydroindol-4-yl)-1,2,4-oxadiazole

5-(3,4-diethoxyphenyl)-3-(1-methyl-2,3-dihydroindol-4-yl)-1,2,4-oxadiazole (PubChem CID 59145467) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 5-(3,4-diethoxyphenyl)-3-(1-methyl-2,3-dihydroindol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,4-diethoxyphenyl)-3-(1-methyl-2,3-dihydroindol-4-yl)-1,2,4-oxadiazole
PubChem CID59145467
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name5-(3,4-diethoxyphenyl)-3-(1-methyl-2,3-dihydroindol-4-yl)-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2nc(-c3cccc4c3CCN4C)no2)cc1OCC
InChIInChI=1S/C21H23N3O3/c1-4-25-18-10-9-14(13-19(18)26-5-2)21-22-20(23-27-21)16-7-6-8-17-15(16)11-12-24(17)3/h6-10,13H,4-5,11-12H2,1-3H3
InChIKeyODSZKNCDSHRYJO-UHFFFAOYSA-N
XLogP4.19
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-diethoxyphenyl)-3-(1-methyl-2,3-dihydroindol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3,4-diethoxyphenyl)-3-(1-methyl-2,3-dihydroindol-4-yl)-1,2,4-oxadiazole (CID 59145467) is 5-(3,4-diethoxyphenyl)-3-(1-methyl-2,3-dihydroindol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,4-diethoxyphenyl)-3-(1-methyl-2,3-dihydroindol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,4-diethoxyphenyl)-3-(1-methyl-2,3-dihydroindol-4-yl)-1,2,4-oxadiazole is CCOc1ccc(-c2nc(-c3cccc4c3CCN4C)no2)cc1OCC.
What is the InChIKey of 5-(3,4-diethoxyphenyl)-3-(1-methyl-2,3-dihydroindol-4-yl)-1,2,4-oxadiazole?
The InChIKey is ODSZKNCDSHRYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-4-25-18-10-9-14(13-19(18)26-5-2)21-22-20(23-27-21)16-7-6-8-17-15(16)11-12-24(17)3/h6-10,13H,4-5,11-12H2,1-3H3.
What are the key properties of 5-(3,4-diethoxyphenyl)-3-(1-methyl-2,3-dihydroindol-4-yl)-1,2,4-oxadiazole?
5-(3,4-diethoxyphenyl)-3-(1-methyl-2,3-dihydroindol-4-yl)-1,2,4-oxadiazole has a molecular weight of 365.43 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-diethoxyphenyl)-3-(1-methyl-2,3-dihydroindol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 59145467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).