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

C13H10N2O3S — CID 106923048

IUPAC1-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]indole-2,3-dione
SMILESCc1coc(Sc2ccc3c(c2)N(C)C(=O)C3=O)n1
InChIInChI=1S/C13H10N2O3S/c1-7-6-18-13(14-7)19-8-3-4-9-10(5-8)15(2)12(17)11(9)16/h3-6H,1-2H3
InChIKeySUWBFXWCDDBGCR-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.29
Rot. Bonds2

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

1-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]indole-2,3-dione (PubChem CID 106923048) has the molecular formula C13H10N2O3S and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]indole-2,3-dione.

Molecular Properties

Compound Name1-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]indole-2,3-dione
PubChem CID106923048
Molecular FormulaC13H10N2O3S
Molecular Weight274.30 g/mol
Exact Mass274.04
IUPAC Name1-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]indole-2,3-dione
SMILESCc1coc(Sc2ccc3c(c2)N(C)C(=O)C3=O)n1
InChIInChI=1S/C13H10N2O3S/c1-7-6-18-13(14-7)19-8-3-4-9-10(5-8)15(2)12(17)11(9)16/h3-6H,1-2H3
InChIKeySUWBFXWCDDBGCR-UHFFFAOYSA-N
XLogP2.29
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]indole-2,3-dione with MolForge

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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-fluoro-6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione
CID 113893564
3-amino-N,N-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
CID 106921590
1-[2-Amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone
CID 106921672
6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione
CID 106923002
1-Methyl-6-(1,3-oxazol-2-ylsulfanyl)indole-2,3-dione
CID 106923021
1-[4-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-2-nitrophenyl]ethanone
CID 106923025
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione
CID 106923028
5-bromo-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione
CID 106923029
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione
CID 106923052
6-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-methylindole-2,3-dione
CID 106923069

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]indole-2,3-dione?
The IUPAC name of 1-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]indole-2,3-dione (CID 106923048) is 1-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]indole-2,3-dione.
What is the SMILES notation for 1-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]indole-2,3-dione?
The canonical SMILES for 1-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]indole-2,3-dione is Cc1coc(Sc2ccc3c(c2)N(C)C(=O)C3=O)n1.
What is the InChIKey of 1-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]indole-2,3-dione?
The InChIKey is SUWBFXWCDDBGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3S/c1-7-6-18-13(14-7)19-8-3-4-9-10(5-8)15(2)12(17)11(9)16/h3-6H,1-2H3.
What are the key properties of 1-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]indole-2,3-dione?
1-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]indole-2,3-dione has a molecular weight of 274.30 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]indole-2,3-dione is sourced from PubChem (CID 106923048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).