3-hydroxy-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one

C11H8N2O3S — CID 106926825

IUPAC3-hydroxy-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Sc3ncco3)ccc2C1O
InChIInChI=1S/C11H8N2O3S/c14-9-7-2-1-6(5-8(7)13-10(9)15)17-11-12-3-4-16-11/h1-5,9,14H,(H,13,15)
InChIKeyPHUODJWNHFOXHR-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.81
Rot. Bonds2

About 3-hydroxy-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one

3-hydroxy-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one (PubChem CID 106926825) has the molecular formula C11H8N2O3S and a molecular weight of 248.26 g/mol. Its IUPAC name is 3-hydroxy-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-hydroxy-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
PubChem CID106926825
Molecular FormulaC11H8N2O3S
Molecular Weight248.26 g/mol
Exact Mass248.03
IUPAC Name3-hydroxy-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Sc3ncco3)ccc2C1O
InChIInChI=1S/C11H8N2O3S/c14-9-7-2-1-6(5-8(7)13-10(9)15)17-11-12-3-4-16-11/h1-5,9,14H,(H,13,15)
InChIKeyPHUODJWNHFOXHR-UHFFFAOYSA-N
XLogP1.81
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.81
H-Bond Donors ≤ 52
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-6-(1,3-thiazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 63835001
5-Amino-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106921415
6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione
CID 106923002
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-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
3-hydroxy-1-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3H-indol-2-one
CID 106926937

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-hydroxy-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one (CID 106926825) is 3-hydroxy-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-hydroxy-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-hydroxy-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one is O=C1Nc2cc(Sc3ncco3)ccc2C1O.
What is the InChIKey of 3-hydroxy-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one?
The InChIKey is PHUODJWNHFOXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3S/c14-9-7-2-1-6(5-8(7)13-10(9)15)17-11-12-3-4-16-11/h1-5,9,14H,(H,13,15).
What are the key properties of 3-hydroxy-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one?
3-hydroxy-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one has a molecular weight of 248.26 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 106926825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).