5,7-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione

C13H11N3O3 — CID 61355905

IUPAC5,7-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione
SMILESCc1cc(C)c2c(c1)C(=O)C(=O)N2Cc1ncon1
InChIInChI=1S/C13H11N3O3/c1-7-3-8(2)11-9(4-7)12(17)13(18)16(11)5-10-14-6-19-15-10/h3-4,6H,5H2,1-2H3
InChIKeyPORAALSGQZKUFE-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.42
Rot. Bonds2

About 5,7-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione

5,7-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione (PubChem CID 61355905) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 5,7-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione.

Molecular Properties

Compound Name5,7-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione
PubChem CID61355905
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name5,7-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione
SMILESCc1cc(C)c2c(c1)C(=O)C(=O)N2Cc1ncon1
InChIInChI=1S/C13H11N3O3/c1-7-3-8(2)11-9(4-7)12(17)13(18)16(11)5-10-14-6-19-15-10/h3-4,6H,5H2,1-2H3
InChIKeyPORAALSGQZKUFE-UHFFFAOYSA-N
XLogP1.42
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.42
H-Bond Donors ≤ 50
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 5,7-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione?
The IUPAC name of 5,7-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione (CID 61355905) is 5,7-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione.
What is the SMILES notation for 5,7-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione?
The canonical SMILES for 5,7-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione is Cc1cc(C)c2c(c1)C(=O)C(=O)N2Cc1ncon1.
What is the InChIKey of 5,7-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione?
The InChIKey is PORAALSGQZKUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-7-3-8(2)11-9(4-7)12(17)13(18)16(11)5-10-14-6-19-15-10/h3-4,6H,5H2,1-2H3.
What are the key properties of 5,7-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione?
5,7-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione has a molecular weight of 257.25 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione is sourced from PubChem (CID 61355905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).