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

C12H9FN2O3S — CID 106926946

IUPAC5-fluoro-3-hydroxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
SMILESCc1coc(Sc2cc3c(cc2F)C(O)C(=O)N3)n1
InChIInChI=1S/C12H9FN2O3S/c1-5-4-18-12(14-5)19-9-3-8-6(2-7(9)13)10(16)11(17)15-8/h2-4,10,16H,1H3,(H,15,17)
InChIKeyMGGYSRMMUIQSCN-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.26
Rot. Bonds2

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

5-fluoro-3-hydroxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one (PubChem CID 106926946) has the molecular formula C12H9FN2O3S and a molecular weight of 280.28 g/mol. Its IUPAC name is 5-fluoro-3-hydroxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-hydroxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
PubChem CID106926946
Molecular FormulaC12H9FN2O3S
Molecular Weight280.28 g/mol
Exact Mass280.03
IUPAC Name5-fluoro-3-hydroxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
SMILESCc1coc(Sc2cc3c(cc2F)C(O)C(=O)N3)n1
InChIInChI=1S/C12H9FN2O3S/c1-5-4-18-12(14-5)19-9-3-8-6(2-7(9)13)10(16)11(17)15-8/h2-4,10,16H,1H3,(H,15,17)
InChIKeyMGGYSRMMUIQSCN-UHFFFAOYSA-N
XLogP2.26
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-3-hydroxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one with MolForge

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Launch Full Analysis

Related Compounds

5-Fluoro-3-hydroxy-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 80758597
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-3-hydroxy-1,3-dihydroindol-2-one
CID 106927010
5-Fluoro-3-hydroxy-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 113894082
3-Hydroxy-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106926825
3-hydroxy-1-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3H-indol-2-one
CID 106926863
3-Hydroxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 106926903
5-Chloro-3-hydroxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 106926906
3-hydroxy-1-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3H-indol-2-one
CID 106926937
5-Bromo-3-hydroxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 106926966
6-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one
CID 106926973
5-Chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one
CID 106926976

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-hydroxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-hydroxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one (CID 106926946) is 5-fluoro-3-hydroxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-hydroxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-hydroxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one is Cc1coc(Sc2cc3c(cc2F)C(O)C(=O)N3)n1.
What is the InChIKey of 5-fluoro-3-hydroxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
The InChIKey is MGGYSRMMUIQSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3S/c1-5-4-18-12(14-5)19-9-3-8-6(2-7(9)13)10(16)11(17)15-8/h2-4,10,16H,1H3,(H,15,17).
What are the key properties of 5-fluoro-3-hydroxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
5-fluoro-3-hydroxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one has a molecular weight of 280.28 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-hydroxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 106926946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).