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

C14H14N2O3S — CID 106927003

IUPAC6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1-methyl-3H-indol-2-one
SMILESCc1nc(Sc2ccc3c(c2)N(C)C(=O)C3O)oc1C
InChIInChI=1S/C14H14N2O3S/c1-7-8(2)19-14(15-7)20-9-4-5-10-11(6-9)16(3)13(18)12(10)17/h4-6,12,17H,1-3H3
InChIKeyUNSJTUZZILOCJY-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.45
Rot. Bonds2

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

6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1-methyl-3H-indol-2-one (PubChem CID 106927003) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1-methyl-3H-indol-2-one
PubChem CID106927003
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1-methyl-3H-indol-2-one
SMILESCc1nc(Sc2ccc3c(c2)N(C)C(=O)C3O)oc1C
InChIInChI=1S/C14H14N2O3S/c1-7-8(2)19-14(15-7)20-9-4-5-10-11(6-9)16(3)13(18)12(10)17/h4-6,12,17H,1-3H3
InChIKeyUNSJTUZZILOCJY-UHFFFAOYSA-N
XLogP2.45
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1-methyl-3H-indol-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-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-methylindole-2,3-dione
CID 106923069
3-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-methyl-3H-indol-2-one
CID 106923312
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

Frequently Asked Questions

What is the IUPAC name of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1-methyl-3H-indol-2-one?
The IUPAC name of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1-methyl-3H-indol-2-one (CID 106927003) is 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1-methyl-3H-indol-2-one.
What is the SMILES notation for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1-methyl-3H-indol-2-one?
The canonical SMILES for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1-methyl-3H-indol-2-one is Cc1nc(Sc2ccc3c(c2)N(C)C(=O)C3O)oc1C.
What is the InChIKey of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1-methyl-3H-indol-2-one?
The InChIKey is UNSJTUZZILOCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-7-8(2)19-14(15-7)20-9-4-5-10-11(6-9)16(3)13(18)12(10)17/h4-6,12,17H,1-3H3.
What are the key properties of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1-methyl-3H-indol-2-one?
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1-methyl-3H-indol-2-one has a molecular weight of 290.34 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 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-methyl-3H-indol-2-one is sourced from PubChem (CID 106927003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).