3-hydroxy-1-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3H-indol-2-one

C12H10N2O3S — CID 106926863

IUPAC3-hydroxy-1-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3H-indol-2-one
SMILESCN1C(=O)C(O)c2ccc(Sc3ncco3)cc21
InChIInChI=1S/C12H10N2O3S/c1-14-9-6-7(18-12-13-4-5-17-12)2-3-8(9)10(15)11(14)16/h2-6,10,15H,1H3
InChIKeyPQMDJNBQEVKJRJ-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.84
Rot. Bonds2

About 3-hydroxy-1-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3H-indol-2-one

3-hydroxy-1-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3H-indol-2-one (PubChem CID 106926863) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-1-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3H-indol-2-one
PubChem CID106926863
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Name3-hydroxy-1-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3H-indol-2-one
SMILESCN1C(=O)C(O)c2ccc(Sc3ncco3)cc21
InChIInChI=1S/C12H10N2O3S/c1-14-9-6-7(18-12-13-4-5-17-12)2-3-8(9)10(15)11(14)16/h2-6,10,15H,1H3
InChIKeyPQMDJNBQEVKJRJ-UHFFFAOYSA-N
XLogP1.84
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.84
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
5-Fluoro-3-hydroxy-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 113894082
3-hydroxy-1-methyl-6-pyridin-2-ylsulfanyl-3H-indol-2-one
CID 81308721
3-hydroxy-1-methyl-6-(1,3-thiazol-2-ylsulfanyl)-3H-indol-2-one
CID 81309601
1-Methyl-6-(1,3-oxazol-2-ylsulfanyl)indole-2,3-dione
CID 106923021
3-(Methylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106923088
6-(1,3-Oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one
CID 106923089
3-(Ethylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106923105
3-Hydroxy-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106926825
3-Hydroxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 106926903
3-hydroxy-1-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3H-indol-2-one
CID 106926937
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-(1,3-oxazol-2-ylsulfanyl)-3H-indol-2-one?
The IUPAC name of 3-hydroxy-1-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3H-indol-2-one (CID 106926863) is 3-hydroxy-1-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3H-indol-2-one.
What is the SMILES notation for 3-hydroxy-1-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3H-indol-2-one?
The canonical SMILES for 3-hydroxy-1-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3H-indol-2-one is CN1C(=O)C(O)c2ccc(Sc3ncco3)cc21.
What is the InChIKey of 3-hydroxy-1-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3H-indol-2-one?
The InChIKey is PQMDJNBQEVKJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c1-14-9-6-7(18-12-13-4-5-17-12)2-3-8(9)10(15)11(14)16/h2-6,10,15H,1H3.
What are the key properties of 3-hydroxy-1-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3H-indol-2-one?
3-hydroxy-1-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3H-indol-2-one has a molecular weight of 262.29 g/mol, XLogP of 1.84, 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-(1,3-oxazol-2-ylsulfanyl)-3H-indol-2-one is sourced from PubChem (CID 106926863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).