1-(2,3-dihydroindol-1-yl)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

C20H19N3O4S — CID 1164118

IUPAC1-(2,3-dihydroindol-1-yl)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
SMILESCOc1ccc(-c2nnc(SCC(=O)N3CCc4ccccc43)o2)cc1OC
InChIInChI=1S/C20H19N3O4S/c1-25-16-8-7-14(11-17(16)26-2)19-21-22-20(27-19)28-12-18(24)23-10-9-13-5-3-4-6-15(13)23/h3-8,11H,9-10,12H2,1-2H3
InChIKeyVHYNOPWEDXEWND-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.44
Rot. Bonds6

About 1-(2,3-dihydroindol-1-yl)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

1-(2,3-dihydroindol-1-yl)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (PubChem CID 1164118) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
PubChem CID1164118
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
SMILESCOc1ccc(-c2nnc(SCC(=O)N3CCc4ccccc43)o2)cc1OC
InChIInChI=1S/C20H19N3O4S/c1-25-16-8-7-14(11-17(16)26-2)19-21-22-20(27-19)28-12-18(24)23-10-9-13-5-3-4-6-15(13)23/h3-8,11H,9-10,12H2,1-2H3
InChIKeyVHYNOPWEDXEWND-UHFFFAOYSA-N
XLogP3.44
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (CID 1164118) is 1-(2,3-dihydroindol-1-yl)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is COc1ccc(-c2nnc(SCC(=O)N3CCc4ccccc43)o2)cc1OC.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The InChIKey is VHYNOPWEDXEWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-25-16-8-7-14(11-17(16)26-2)19-21-22-20(27-19)28-12-18(24)23-10-9-13-5-3-4-6-15(13)23/h3-8,11H,9-10,12H2,1-2H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone has a molecular weight of 397.46 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is sourced from PubChem (CID 1164118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).