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

C13H12N2O3S — CID 106926973

IUPAC6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one
SMILESCc1nc(Sc2ccc3c(c2)NC(=O)C3O)oc1C
InChIInChI=1S/C13H12N2O3S/c1-6-7(2)18-13(14-6)19-8-3-4-9-10(5-8)15-12(17)11(9)16/h3-5,11,16H,1-2H3,(H,15,17)
InChIKeyLEQVEGSISWQWGS-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.43
Rot. Bonds2

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

6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 106926973) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID106926973
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one
SMILESCc1nc(Sc2ccc3c(c2)NC(=O)C3O)oc1C
InChIInChI=1S/C13H12N2O3S/c1-6-7(2)18-13(14-6)19-8-3-4-9-10(5-8)15-12(17)11(9)16/h3-5,11,16H,1-2H3,(H,15,17)
InChIKeyLEQVEGSISWQWGS-UHFFFAOYSA-N
XLogP2.43
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-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-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 106926946
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
6-(1,3-Benzoxazol-2-ylsulfanyl)-3-hydroxy-1,3-dihydroindol-2-one
CID 63812956
6-[(4,6-Dimethyl-2-pyridinyl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one
CID 102926211
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]-3-(methylamino)-1,3-dihydroindol-2-one
CID 106923264
3-Amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 106923308
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

Frequently Asked Questions

What is the IUPAC name of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one (CID 106926973) is 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one is Cc1nc(Sc2ccc3c(c2)NC(=O)C3O)oc1C.
What is the InChIKey of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is LEQVEGSISWQWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-6-7(2)18-13(14-6)19-8-3-4-9-10(5-8)15-12(17)11(9)16/h3-5,11,16H,1-2H3,(H,15,17).
What are the key properties of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one?
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 276.32 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 106926973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).