6-fluoro-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione

C11H6FN3O3 — CID 28782851

IUPAC6-fluoro-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ncon2)c2cc(F)ccc21
InChIInChI=1S/C11H6FN3O3/c12-6-1-2-7-8(3-6)15(11(17)10(7)16)4-9-13-5-18-14-9/h1-3,5H,4H2
InChIKeyNLMWXFWRKXODQQ-UHFFFAOYSA-N
MW247.19 g/mol
LogP0.94
Rot. Bonds2

About 6-fluoro-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione

6-fluoro-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione (PubChem CID 28782851) has the molecular formula C11H6FN3O3 and a molecular weight of 247.19 g/mol. Its IUPAC name is 6-fluoro-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione.

Molecular Properties

Compound Name6-fluoro-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione
PubChem CID28782851
Molecular FormulaC11H6FN3O3
Molecular Weight247.19 g/mol
Exact Mass247.04
IUPAC Name6-fluoro-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ncon2)c2cc(F)ccc21
InChIInChI=1S/C11H6FN3O3/c12-6-1-2-7-8(3-6)15(11(17)10(7)16)4-9-13-5-18-14-9/h1-3,5H,4H2
InChIKeyNLMWXFWRKXODQQ-UHFFFAOYSA-N
XLogP0.94
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.19
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-1-(1,2,4-oxadiazol-3-ylmethyl)-2,3-dihydro-1H-indole-2,3-dione
CID 28782785
1-[2-(2-Methylimidazol-1-yl)ethyl]indole-2,3-dione
CID 61493870
6-Fluoro-1-(2-imidazol-1-ylethyl)indole-2,3-dione
CID 28782848
6-Fluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione
CID 28782849
6-Fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione
CID 28782850
1-[(3-Ethyl-1,2,4-oxadiazol-5-yl)methyl]-6-fluoroindole-2,3-dione
CID 28782859
5-Fluoro-1-(2-imidazol-1-ylethyl)indole-2,3-dione
CID 28782866
5-Fluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione
CID 28782867
5-Fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione
CID 28782868
5-Fluoro-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione
CID 28782869
1-[(3-Ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-fluoroindole-2,3-dione
CID 28782875
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-5-fluoroindole-2,3-dione
CID 43112141

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione?
The IUPAC name of 6-fluoro-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione (CID 28782851) is 6-fluoro-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione.
What is the SMILES notation for 6-fluoro-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione?
The canonical SMILES for 6-fluoro-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione is O=C1C(=O)N(Cc2ncon2)c2cc(F)ccc21.
What is the InChIKey of 6-fluoro-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione?
The InChIKey is NLMWXFWRKXODQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FN3O3/c12-6-1-2-7-8(3-6)15(11(17)10(7)16)4-9-13-5-18-14-9/h1-3,5H,4H2.
What are the key properties of 6-fluoro-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione?
6-fluoro-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione has a molecular weight of 247.19 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione is sourced from PubChem (CID 28782851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).