5-chloro-6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione

C11H5ClN2O3S — CID 106923004

IUPAC5-chloro-6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione
SMILESO=C1Nc2cc(Sc3ncco3)c(Cl)cc2C1=O
InChIInChI=1S/C11H5ClN2O3S/c12-6-3-5-7(14-10(16)9(5)15)4-8(6)18-11-13-1-2-17-11/h1-4H,(H,14,15,16)
InChIKeyYMGJRBPTLCYSBU-UHFFFAOYSA-N
MW280.69 g/mol
LogP2.61
Rot. Bonds2

About 5-chloro-6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione

5-chloro-6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione (PubChem CID 106923004) has the molecular formula C11H5ClN2O3S and a molecular weight of 280.69 g/mol. Its IUPAC name is 5-chloro-6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-chloro-6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione
PubChem CID106923004
Molecular FormulaC11H5ClN2O3S
Molecular Weight280.69 g/mol
Exact Mass279.97
IUPAC Name5-chloro-6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione
SMILESO=C1Nc2cc(Sc3ncco3)c(Cl)cc2C1=O
InChIInChI=1S/C11H5ClN2O3S/c12-6-3-5-7(14-10(16)9(5)15)4-8(6)18-11-13-1-2-17-11/h1-4H,(H,14,15,16)
InChIKeyYMGJRBPTLCYSBU-UHFFFAOYSA-N
XLogP2.61
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.69
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione
CID 113893564
5-chloro-6-(1,3-thiazol-2-ylsulfanyl)-1H-indole-2,3-dione
CID 79336516
6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione
CID 106923002
5-bromo-6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione
CID 106923003
1-Methyl-6-(1,3-oxazol-2-ylsulfanyl)indole-2,3-dione
CID 106923021
5-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione
CID 106923054
5-Chloro-6-(1,3-oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one
CID 106923077
5-Chloro-3-(ethylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106923081
5-Chloro-3-(methylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106923118
3-Amino-5-chloro-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106923129
5-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione
CID 113893566
5-Chloro-3-hydroxy-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 113894079

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione?
The IUPAC name of 5-chloro-6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione (CID 106923004) is 5-chloro-6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione.
What is the SMILES notation for 5-chloro-6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione?
The canonical SMILES for 5-chloro-6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione is O=C1Nc2cc(Sc3ncco3)c(Cl)cc2C1=O.
What is the InChIKey of 5-chloro-6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione?
The InChIKey is YMGJRBPTLCYSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClN2O3S/c12-6-3-5-7(14-10(16)9(5)15)4-8(6)18-11-13-1-2-17-11/h1-4H,(H,14,15,16).
What are the key properties of 5-chloro-6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione?
5-chloro-6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione has a molecular weight of 280.69 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione is sourced from PubChem (CID 106923004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).