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

C12H8FN3O3 — CID 106893878

IUPAC5-fluoro-7-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione
SMILESCc1cc(F)cc2c1N(Cc1ncon1)C(=O)C2=O
InChIInChI=1S/C12H8FN3O3/c1-6-2-7(13)3-8-10(6)16(12(18)11(8)17)4-9-14-5-19-15-9/h2-3,5H,4H2,1H3
InChIKeyGHBKUSDTIOEINN-UHFFFAOYSA-N
MW261.21 g/mol
LogP1.25
Rot. Bonds2

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

5-fluoro-7-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione (PubChem CID 106893878) has the molecular formula C12H8FN3O3 and a molecular weight of 261.21 g/mol. Its IUPAC name is 5-fluoro-7-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione.

Molecular Properties

Compound Name5-fluoro-7-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione
PubChem CID106893878
Molecular FormulaC12H8FN3O3
Molecular Weight261.21 g/mol
Exact Mass261.05
IUPAC Name5-fluoro-7-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione
SMILESCc1cc(F)cc2c1N(Cc1ncon1)C(=O)C2=O
InChIInChI=1S/C12H8FN3O3/c1-6-2-7(13)3-8-10(6)16(12(18)11(8)17)4-9-14-5-19-15-9/h2-3,5H,4H2,1H3
InChIKeyGHBKUSDTIOEINN-UHFFFAOYSA-N
XLogP1.25
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 51.25
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-fluoro-7-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione?
The IUPAC name of 5-fluoro-7-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione (CID 106893878) is 5-fluoro-7-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione.
What is the SMILES notation for 5-fluoro-7-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione?
The canonical SMILES for 5-fluoro-7-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione is Cc1cc(F)cc2c1N(Cc1ncon1)C(=O)C2=O.
What is the InChIKey of 5-fluoro-7-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione?
The InChIKey is GHBKUSDTIOEINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O3/c1-6-2-7(13)3-8-10(6)16(12(18)11(8)17)4-9-14-5-19-15-9/h2-3,5H,4H2,1H3.
What are the key properties of 5-fluoro-7-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione?
5-fluoro-7-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione has a molecular weight of 261.21 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione is sourced from PubChem (CID 106893878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).