5-(2,3-dihydro-1H-indol-3-yl)-3-(methylsulfonylmethyl)-1,2,4-oxadiazole

C12H13N3O3S — CID 80565226

IUPAC5-(2,3-dihydro-1H-indol-3-yl)-3-(methylsulfonylmethyl)-1,2,4-oxadiazole
SMILESCS(=O)(=O)Cc1noc(C2CNc3ccccc32)n1
InChIInChI=1S/C12H13N3O3S/c1-19(16,17)7-11-14-12(18-15-11)9-6-13-10-5-3-2-4-8(9)10/h2-5,9,13H,6-7H2,1H3
InChIKeyUZSWOSKTLFXMAX-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.17
Rot. Bonds3

About 5-(2,3-dihydro-1H-indol-3-yl)-3-(methylsulfonylmethyl)-1,2,4-oxadiazole

5-(2,3-dihydro-1H-indol-3-yl)-3-(methylsulfonylmethyl)-1,2,4-oxadiazole (PubChem CID 80565226) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-indol-3-yl)-3-(methylsulfonylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-indol-3-yl)-3-(methylsulfonylmethyl)-1,2,4-oxadiazole
PubChem CID80565226
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name5-(2,3-dihydro-1H-indol-3-yl)-3-(methylsulfonylmethyl)-1,2,4-oxadiazole
SMILESCS(=O)(=O)Cc1noc(C2CNc3ccccc32)n1
InChIInChI=1S/C12H13N3O3S/c1-19(16,17)7-11-14-12(18-15-11)9-6-13-10-5-3-2-4-8(9)10/h2-5,9,13H,6-7H2,1H3
InChIKeyUZSWOSKTLFXMAX-UHFFFAOYSA-N
XLogP1.17
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-indol-3-yl)-3-(methylsulfonylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-dihydro-1H-indol-3-yl)-3-(methylsulfonylmethyl)-1,2,4-oxadiazole (CID 80565226) is 5-(2,3-dihydro-1H-indol-3-yl)-3-(methylsulfonylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-dihydro-1H-indol-3-yl)-3-(methylsulfonylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-dihydro-1H-indol-3-yl)-3-(methylsulfonylmethyl)-1,2,4-oxadiazole is CS(=O)(=O)Cc1noc(C2CNc3ccccc32)n1.
What is the InChIKey of 5-(2,3-dihydro-1H-indol-3-yl)-3-(methylsulfonylmethyl)-1,2,4-oxadiazole?
The InChIKey is UZSWOSKTLFXMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-19(16,17)7-11-14-12(18-15-11)9-6-13-10-5-3-2-4-8(9)10/h2-5,9,13H,6-7H2,1H3.
What are the key properties of 5-(2,3-dihydro-1H-indol-3-yl)-3-(methylsulfonylmethyl)-1,2,4-oxadiazole?
5-(2,3-dihydro-1H-indol-3-yl)-3-(methylsulfonylmethyl)-1,2,4-oxadiazole has a molecular weight of 279.32 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-indol-3-yl)-3-(methylsulfonylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 80565226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).