3-hydroxy-1-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3H-indol-2-one

C13H12N2O3S — CID 106926937

IUPAC3-hydroxy-1-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3H-indol-2-one
SMILESCc1coc(Sc2ccc3c(c2)N(C)C(=O)C3O)n1
InChIInChI=1S/C13H12N2O3S/c1-7-6-18-13(14-7)19-8-3-4-9-10(5-8)15(2)12(17)11(9)16/h3-6,11,16H,1-2H3
InChIKeyBYZKOEXTRVEONJ-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.14
Rot. Bonds2

About 3-hydroxy-1-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3H-indol-2-one

3-hydroxy-1-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3H-indol-2-one (PubChem CID 106926937) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-1-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3H-indol-2-one
PubChem CID106926937
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name3-hydroxy-1-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3H-indol-2-one
SMILESCc1coc(Sc2ccc3c(c2)N(C)C(=O)C3O)n1
InChIInChI=1S/C13H12N2O3S/c1-7-6-18-13(14-7)19-8-3-4-9-10(5-8)15(2)12(17)11(9)16/h3-6,11,16H,1-2H3
InChIKeyBYZKOEXTRVEONJ-UHFFFAOYSA-N
XLogP2.14
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
3-hydroxy-1-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3H-indol-2-one
CID 81308936
1-Methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]indole-2,3-dione
CID 106923048
3-amino-1-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3H-indol-2-one
CID 106923231
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
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

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3H-indol-2-one?
The IUPAC name of 3-hydroxy-1-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3H-indol-2-one (CID 106926937) is 3-hydroxy-1-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3H-indol-2-one.
What is the SMILES notation for 3-hydroxy-1-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3H-indol-2-one?
The canonical SMILES for 3-hydroxy-1-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3H-indol-2-one is Cc1coc(Sc2ccc3c(c2)N(C)C(=O)C3O)n1.
What is the InChIKey of 3-hydroxy-1-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3H-indol-2-one?
The InChIKey is BYZKOEXTRVEONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-7-6-18-13(14-7)19-8-3-4-9-10(5-8)15(2)12(17)11(9)16/h3-6,11,16H,1-2H3.
What are the key properties of 3-hydroxy-1-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3H-indol-2-one?
3-hydroxy-1-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3H-indol-2-one has a molecular weight of 276.32 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3H-indol-2-one is sourced from PubChem (CID 106926937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).