6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione

C13H10N2O3S — CID 106923052

IUPAC6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione
SMILESCc1nc(Sc2ccc3c(c2)NC(=O)C3=O)oc1C
InChIInChI=1S/C13H10N2O3S/c1-6-7(2)18-13(14-6)19-8-3-4-9-10(5-8)15-12(17)11(9)16/h3-5H,1-2H3,(H,15,16,17)
InChIKeyUADQRMGFJBGULH-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.58
Rot. Bonds2

About 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione

6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione (PubChem CID 106923052) has the molecular formula C13H10N2O3S and a molecular weight of 274.30 g/mol. Its IUPAC name is 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione.

Molecular Properties

Compound Name6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione
PubChem CID106923052
Molecular FormulaC13H10N2O3S
Molecular Weight274.30 g/mol
Exact Mass274.04
IUPAC Name6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione
SMILESCc1nc(Sc2ccc3c(c2)NC(=O)C3=O)oc1C
InChIInChI=1S/C13H10N2O3S/c1-6-7(2)18-13(14-6)19-8-3-4-9-10(5-8)15-12(17)11(9)16/h3-5H,1-2H3,(H,15,16,17)
InChIKeyUADQRMGFJBGULH-UHFFFAOYSA-N
XLogP2.58
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione?
The IUPAC name of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione (CID 106923052) is 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione.
What is the SMILES notation for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione?
The canonical SMILES for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione is Cc1nc(Sc2ccc3c(c2)NC(=O)C3=O)oc1C.
What is the InChIKey of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione?
The InChIKey is UADQRMGFJBGULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3S/c1-6-7(2)18-13(14-6)19-8-3-4-9-10(5-8)15-12(17)11(9)16/h3-5H,1-2H3,(H,15,16,17).
What are the key properties of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione?
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione has a molecular weight of 274.30 g/mol, XLogP of 2.58, 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]-1H-indole-2,3-dione is sourced from PubChem (CID 106923052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).