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

C12H7FN2O3S — CID 106923030

IUPAC5-fluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione
SMILESCc1coc(Sc2cc3c(cc2F)C(=O)C(=O)N3)n1
InChIInChI=1S/C12H7FN2O3S/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)
InChIKeyYNYACDSAQZMYKX-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.41
Rot. Bonds2

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

5-fluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione (PubChem CID 106923030) has the molecular formula C12H7FN2O3S and a molecular weight of 278.26 g/mol. Its IUPAC name is 5-fluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-fluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione
PubChem CID106923030
Molecular FormulaC12H7FN2O3S
Molecular Weight278.26 g/mol
Exact Mass278.02
IUPAC Name5-fluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione
SMILESCc1coc(Sc2cc3c(cc2F)C(=O)C(=O)N3)n1
InChIInChI=1S/C12H7FN2O3S/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)
InChIKeyYNYACDSAQZMYKX-UHFFFAOYSA-N
XLogP2.41
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Related Compounds

6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoro-1H-indole-2,3-dione
CID 106923055
2-Amino-4-fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
CID 106924148
5-Fluoro-3-hydroxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 106926946
5-fluoro-6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione
CID 113893564
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
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
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

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione?
The IUPAC name of 5-fluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione (CID 106923030) is 5-fluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione.
What is the SMILES notation for 5-fluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione?
The canonical SMILES for 5-fluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione is Cc1coc(Sc2cc3c(cc2F)C(=O)C(=O)N3)n1.
What is the InChIKey of 5-fluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione?
The InChIKey is YNYACDSAQZMYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2O3S/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-fluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione?
5-fluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione has a molecular weight of 278.26 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione is sourced from PubChem (CID 106923030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).