2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]ethanol

C22H25N3O4 — CID 25110404

IUPAC2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]ethanol
SMILESCCOc1ccc(-c2nc(-c3cccc4c3CCN4CCO)no2)cc1OCC
InChIInChI=1S/C22H25N3O4/c1-3-27-19-9-8-15(14-20(19)28-4-2)22-23-21(24-29-22)17-6-5-7-18-16(17)10-11-25(18)12-13-26/h5-9,14,26H,3-4,10-13H2,1-2H3
InChIKeyOWAZJYIXSGYPLQ-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.56
Rot. Bonds8

About 2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]ethanol

2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]ethanol (PubChem CID 25110404) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]ethanol
PubChem CID25110404
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]ethanol
SMILESCCOc1ccc(-c2nc(-c3cccc4c3CCN4CCO)no2)cc1OCC
InChIInChI=1S/C22H25N3O4/c1-3-27-19-9-8-15(14-20(19)28-4-2)22-23-21(24-29-22)17-6-5-7-18-16(17)10-11-25(18)12-13-26/h5-9,14,26H,3-4,10-13H2,1-2H3
InChIKeyOWAZJYIXSGYPLQ-UHFFFAOYSA-N
XLogP3.56
TPSA80.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]ethanol?
The IUPAC name of 2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]ethanol (CID 25110404) is 2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]ethanol?
The canonical SMILES for 2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]ethanol is CCOc1ccc(-c2nc(-c3cccc4c3CCN4CCO)no2)cc1OCC.
What is the InChIKey of 2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]ethanol?
The InChIKey is OWAZJYIXSGYPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-3-27-19-9-8-15(14-20(19)28-4-2)22-23-21(24-29-22)17-6-5-7-18-16(17)10-11-25(18)12-13-26/h5-9,14,26H,3-4,10-13H2,1-2H3.
What are the key properties of 2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]ethanol?
2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]ethanol has a molecular weight of 395.46 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]ethanol is sourced from PubChem (CID 25110404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).