3-[4-[[5-(2-methoxy-6-methyl-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one

C23H20N4O5S — CID 135928026

IUPAC3-[4-[[5-(2-methoxy-6-methyl-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one
SMILESCOc1nc(C)ccc1-c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(-c2noc(=O)[nH]2)cc1
InChIInChI=1S/C23H20N4O5S/c1-14-3-9-19(22(24-14)31-2)16-6-10-20-17(13-16)11-12-27(20)33(29,30)18-7-4-15(5-8-18)21-25-23(28)32-26-21/h3-10,13H,11-12H2,1-2H3,(H,25,26,28)
InChIKeyUUEKLBBSCOKGJF-UHFFFAOYSA-N
MW464.50 g/mol
LogP3.16
Rot. Bonds5

About 3-[4-[[5-(2-methoxy-6-methyl-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one

3-[4-[[5-(2-methoxy-6-methyl-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 135928026) has the molecular formula C23H20N4O5S and a molecular weight of 464.50 g/mol. Its IUPAC name is 3-[4-[[5-(2-methoxy-6-methyl-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[4-[[5-(2-methoxy-6-methyl-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one
PubChem CID135928026
Molecular FormulaC23H20N4O5S
Molecular Weight464.50 g/mol
Exact Mass464.12
IUPAC Name3-[4-[[5-(2-methoxy-6-methyl-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one
SMILESCOc1nc(C)ccc1-c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(-c2noc(=O)[nH]2)cc1
InChIInChI=1S/C23H20N4O5S/c1-14-3-9-19(22(24-14)31-2)16-6-10-20-17(13-16)11-12-27(20)33(29,30)18-7-4-15(5-8-18)21-25-23(28)32-26-21/h3-10,13H,11-12H2,1-2H3,(H,25,26,28)
InChIKeyUUEKLBBSCOKGJF-UHFFFAOYSA-N
XLogP3.16
TPSA118.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[5-(2-methoxy-6-methyl-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[4-[[5-(2-methoxy-6-methyl-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one (CID 135928026) is 3-[4-[[5-(2-methoxy-6-methyl-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[4-[[5-(2-methoxy-6-methyl-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[4-[[5-(2-methoxy-6-methyl-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one is COc1nc(C)ccc1-c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(-c2noc(=O)[nH]2)cc1.
What is the InChIKey of 3-[4-[[5-(2-methoxy-6-methyl-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is UUEKLBBSCOKGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O5S/c1-14-3-9-19(22(24-14)31-2)16-6-10-20-17(13-16)11-12-27(20)33(29,30)18-7-4-15(5-8-18)21-25-23(28)32-26-21/h3-10,13H,11-12H2,1-2H3,(H,25,26,28).
What are the key properties of 3-[4-[[5-(2-methoxy-6-methyl-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one?
3-[4-[[5-(2-methoxy-6-methyl-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 464.50 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[5-(2-methoxy-6-methyl-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 135928026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).