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

C11H6N2O3S — CID 106923002

IUPAC6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione
SMILESO=C1Nc2cc(Sc3ncco3)ccc2C1=O
InChIInChI=1S/C11H6N2O3S/c14-9-7-2-1-6(5-8(7)13-10(9)15)17-11-12-3-4-16-11/h1-5H,(H,13,14,15)
InChIKeyONQRMBHZZLDZJY-UHFFFAOYSA-N
MW246.25 g/mol
LogP1.96
Rot. Bonds2

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

6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione (PubChem CID 106923002) has the molecular formula C11H6N2O3S and a molecular weight of 246.25 g/mol. Its IUPAC name is 6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione.

Molecular Properties

Compound Name6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione
PubChem CID106923002
Molecular FormulaC11H6N2O3S
Molecular Weight246.25 g/mol
Exact Mass246.01
IUPAC Name6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione
SMILESO=C1Nc2cc(Sc3ncco3)ccc2C1=O
InChIInChI=1S/C11H6N2O3S/c14-9-7-2-1-6(5-8(7)13-10(9)15)17-11-12-3-4-16-11/h1-5H,(H,13,14,15)
InChIKeyONQRMBHZZLDZJY-UHFFFAOYSA-N
XLogP1.96
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 51.96
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-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione
CID 106923030
5-fluoro-6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione
CID 113893564
1,3-Oxazole-5-carboxamide;1-[(4-sulfanylphenyl)methyl]indole-2,3-dione
CID 179071719
1-[2-Amino-5-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone
CID 106921317
1-[2-Amino-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone
CID 106921362
3-amino-N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide
CID 106921381
5-Amino-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106921415
1-[2-Nitro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone
CID 106922999
5-bromo-6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione
CID 106923003
5-chloro-6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione
CID 106923004
1-Methyl-6-(1,3-oxazol-2-ylsulfanyl)indole-2,3-dione
CID 106923021
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione
CID 106923028

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione?
The IUPAC name of 6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione (CID 106923002) is 6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione.
What is the SMILES notation for 6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione?
The canonical SMILES for 6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione is O=C1Nc2cc(Sc3ncco3)ccc2C1=O.
What is the InChIKey of 6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione?
The InChIKey is ONQRMBHZZLDZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N2O3S/c14-9-7-2-1-6(5-8(7)13-10(9)15)17-11-12-3-4-16-11/h1-5H,(H,13,14,15).
What are the key properties of 6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione?
6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione has a molecular weight of 246.25 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione is sourced from PubChem (CID 106923002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).