5-bromo-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione

C12H7BrN2O3S — CID 106923029

IUPAC5-bromo-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione
SMILESCc1coc(Sc2cc3c(cc2Br)C(=O)C(=O)N3)n1
InChIInChI=1S/C12H7BrN2O3S/c1-5-4-18-12(14-5)19-9-3-8-6(2-7(9)13)10(16)11(17)15-8/h2-4H,1H3,(H,15,16,17)
InChIKeyTVUXWRXQVRRUIV-UHFFFAOYSA-N
MW339.17 g/mol
LogP3.03
Rot. Bonds2

About 5-bromo-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione

5-bromo-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione (PubChem CID 106923029) has the molecular formula C12H7BrN2O3S and a molecular weight of 339.17 g/mol. Its IUPAC name is 5-bromo-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-bromo-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione
PubChem CID106923029
Molecular FormulaC12H7BrN2O3S
Molecular Weight339.17 g/mol
Exact Mass337.94
IUPAC Name5-bromo-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione
SMILESCc1coc(Sc2cc3c(cc2Br)C(=O)C(=O)N3)n1
InChIInChI=1S/C12H7BrN2O3S/c1-5-4-18-12(14-5)19-9-3-8-6(2-7(9)13)10(16)11(17)15-8/h2-4H,1H3,(H,15,16,17)
InChIKeyTVUXWRXQVRRUIV-UHFFFAOYSA-N
XLogP3.03
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.17
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 5-bromo-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione 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

5-fluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione
CID 106923030
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoro-1H-indole-2,3-dione
CID 106923055
5-bromo-6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione
CID 106923003
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione
CID 106923028
1-Methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]indole-2,3-dione
CID 106923048
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione
CID 106923052
5-bromo-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione
CID 106923053
5-Bromo-3-(methylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 106923207
5-Bromo-3-(ethylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 106923228
3-Amino-5-bromo-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 106923242
5-Bromo-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(methylamino)-1,3-dihydroindol-2-one
CID 106923290
3-Amino-5-bromo-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 106923325

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione?
The IUPAC name of 5-bromo-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione (CID 106923029) is 5-bromo-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione.
What is the SMILES notation for 5-bromo-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione?
The canonical SMILES for 5-bromo-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione is Cc1coc(Sc2cc3c(cc2Br)C(=O)C(=O)N3)n1.
What is the InChIKey of 5-bromo-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione?
The InChIKey is TVUXWRXQVRRUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN2O3S/c1-5-4-18-12(14-5)19-9-3-8-6(2-7(9)13)10(16)11(17)15-8/h2-4H,1H3,(H,15,16,17).
What are the key properties of 5-bromo-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione?
5-bromo-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione has a molecular weight of 339.17 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione is sourced from PubChem (CID 106923029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).