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

C12H8N2O3S — CID 106923028

IUPAC6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione
SMILESCc1coc(Sc2ccc3c(c2)NC(=O)C3=O)n1
InChIInChI=1S/C12H8N2O3S/c1-6-5-17-12(13-6)18-7-2-3-8-9(4-7)14-11(16)10(8)15/h2-5H,1H3,(H,14,15,16)
InChIKeyDWBVYWPRERKSDC-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.27
Rot. Bonds2

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

6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione (PubChem CID 106923028) has the molecular formula C12H8N2O3S and a molecular weight of 260.27 g/mol. Its IUPAC name is 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione.

Molecular Properties

Compound Name6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione
PubChem CID106923028
Molecular FormulaC12H8N2O3S
Molecular Weight260.27 g/mol
Exact Mass260.03
IUPAC Name6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione
SMILESCc1coc(Sc2ccc3c(c2)NC(=O)C3=O)n1
InChIInChI=1S/C12H8N2O3S/c1-6-5-17-12(13-6)18-7-2-3-8-9(4-7)14-11(16)10(8)15/h2-5H,1H3,(H,14,15,16)
InChIKeyDWBVYWPRERKSDC-UHFFFAOYSA-N
XLogP2.27
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-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
1-[2-Amino-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone
CID 106921477
1-[2-Amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone
CID 106921632
1-[2-Amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone
CID 106921672
5-Amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 106921726
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
5-bromo-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione
CID 106923029
1-Methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]indole-2,3-dione
CID 106923048

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione?
The IUPAC name of 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione (CID 106923028) is 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione.
What is the SMILES notation for 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione?
The canonical SMILES for 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione is Cc1coc(Sc2ccc3c(c2)NC(=O)C3=O)n1.
What is the InChIKey of 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione?
The InChIKey is DWBVYWPRERKSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O3S/c1-6-5-17-12(13-6)18-7-2-3-8-9(4-7)14-11(16)10(8)15/h2-5H,1H3,(H,14,15,16).
What are the key properties of 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione?
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione has a molecular weight of 260.27 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione is sourced from PubChem (CID 106923028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).