5-bromo-3-hydroxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one

C11H8BrN3O3S — CID 79344868

IUPAC5-bromo-3-hydroxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
SMILESCc1nnc(Sc2cc3c(cc2Br)C(O)C(=O)N3)o1
InChIInChI=1S/C11H8BrN3O3S/c1-4-14-15-11(18-4)19-8-3-7-5(2-6(8)12)9(16)10(17)13-7/h2-3,9,16H,1H3,(H,13,17)
InChIKeyHNQDKESYKZVTRV-UHFFFAOYSA-N
MW342.17 g/mol
LogP2.28
Rot. Bonds2

About 5-bromo-3-hydroxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one

5-bromo-3-hydroxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one (PubChem CID 79344868) has the molecular formula C11H8BrN3O3S and a molecular weight of 342.17 g/mol. Its IUPAC name is 5-bromo-3-hydroxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-hydroxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
PubChem CID79344868
Molecular FormulaC11H8BrN3O3S
Molecular Weight342.17 g/mol
Exact Mass340.95
IUPAC Name5-bromo-3-hydroxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
SMILESCc1nnc(Sc2cc3c(cc2Br)C(O)C(=O)N3)o1
InChIInChI=1S/C11H8BrN3O3S/c1-4-14-15-11(18-4)19-8-3-7-5(2-6(8)12)9(16)10(17)13-7/h2-3,9,16H,1H3,(H,13,17)
InChIKeyHNQDKESYKZVTRV-UHFFFAOYSA-N
XLogP2.28
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.17
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-hydroxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-hydroxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one (CID 79344868) is 5-bromo-3-hydroxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-hydroxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-hydroxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one is Cc1nnc(Sc2cc3c(cc2Br)C(O)C(=O)N3)o1.
What is the InChIKey of 5-bromo-3-hydroxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
The InChIKey is HNQDKESYKZVTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O3S/c1-4-14-15-11(18-4)19-8-3-7-5(2-6(8)12)9(16)10(17)13-7/h2-3,9,16H,1H3,(H,13,17).
What are the key properties of 5-bromo-3-hydroxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
5-bromo-3-hydroxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one has a molecular weight of 342.17 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-hydroxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 79344868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).