1-(2,3-dihydroindol-1-yl)-2-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]ethanone

C20H19N3O5S — CID 55596343

IUPAC1-(2,3-dihydroindol-1-yl)-2-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]ethanone
SMILESCOc1ccccc1-c1noc(CS(=O)(=O)CC(=O)N2CCc3ccccc32)n1
InChIInChI=1S/C20H19N3O5S/c1-27-17-9-5-3-7-15(17)20-21-18(28-22-20)12-29(25,26)13-19(24)23-11-10-14-6-2-4-8-16(14)23/h2-9H,10-13H2,1H3
InChIKeyITRGMWMDWULCGQ-UHFFFAOYSA-N
MW413.46 g/mol
LogP2.25
Rot. Bonds6

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

1-(2,3-dihydroindol-1-yl)-2-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]ethanone (PubChem CID 55596343) has the molecular formula C20H19N3O5S and a molecular weight of 413.46 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]ethanone
PubChem CID55596343
Molecular FormulaC20H19N3O5S
Molecular Weight413.46 g/mol
Exact Mass413.10
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]ethanone
SMILESCOc1ccccc1-c1noc(CS(=O)(=O)CC(=O)N2CCc3ccccc32)n1
InChIInChI=1S/C20H19N3O5S/c1-27-17-9-5-3-7-15(17)20-21-18(28-22-20)12-29(25,26)13-19(24)23-11-10-14-6-2-4-8-16(14)23/h2-9H,10-13H2,1H3
InChIKeyITRGMWMDWULCGQ-UHFFFAOYSA-N
XLogP2.25
TPSA102.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(2,3-dihydroindol-1-yl)-2-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 55595507
1-(2,3-dihydroindol-1-yl)-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]ethanone
CID 38638828
1-(2,3-dihydroindol-1-yl)-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]ethanone
CID 20912696
3-(2-methoxyphenyl)-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfonylmethyl]-1,2,4-oxadiazole
CID 86926216
1-(2,3-dihydroindol-1-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone
CID 110677413
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-morpholin-4-ylpropan-1-one
CID 3721998
1-(2,3-dihydroindol-1-yl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 100762972
3-(2-methoxyphenyl)-5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole
CID 25355481
5-[(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 86952151
1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone
CID 9080490
N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide
CID 4973301
1-(2,3-dihydroindol-1-yl)-3-(2,3-dimethoxyphenyl)propan-1-one
CID 30271420

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]ethanone (CID 55596343) is 1-(2,3-dihydroindol-1-yl)-2-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]ethanone is COc1ccccc1-c1noc(CS(=O)(=O)CC(=O)N2CCc3ccccc32)n1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]ethanone?
The InChIKey is ITRGMWMDWULCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5S/c1-27-17-9-5-3-7-15(17)20-21-18(28-22-20)12-29(25,26)13-19(24)23-11-10-14-6-2-4-8-16(14)23/h2-9H,10-13H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]ethanone has a molecular weight of 413.46 g/mol, XLogP of 2.25, 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-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]ethanone is sourced from PubChem (CID 55596343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).