1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-6-fluoroindole-2,3-dione

C13H10FN3O3 — CID 28782859

IUPAC1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-6-fluoroindole-2,3-dione
SMILESCCc1noc(CN2C(=O)C(=O)c3ccc(F)cc32)n1
InChIInChI=1S/C13H10FN3O3/c1-2-10-15-11(20-16-10)6-17-9-5-7(14)3-4-8(9)12(18)13(17)19/h3-5H,2,6H2,1H3
InChIKeyOLHWFRJWXPGSKS-UHFFFAOYSA-N
MW275.24 g/mol
LogP1.50
Rot. Bonds3

About 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-6-fluoroindole-2,3-dione

1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-6-fluoroindole-2,3-dione (PubChem CID 28782859) has the molecular formula C13H10FN3O3 and a molecular weight of 275.24 g/mol. Its IUPAC name is 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-6-fluoroindole-2,3-dione.

Molecular Properties

Compound Name1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-6-fluoroindole-2,3-dione
PubChem CID28782859
Molecular FormulaC13H10FN3O3
Molecular Weight275.24 g/mol
Exact Mass275.07
IUPAC Name1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-6-fluoroindole-2,3-dione
SMILESCCc1noc(CN2C(=O)C(=O)c3ccc(F)cc32)n1
InChIInChI=1S/C13H10FN3O3/c1-2-10-15-11(20-16-10)6-17-9-5-7(14)3-4-8(9)12(18)13(17)19/h3-5H,2,6H2,1H3
InChIKeyOLHWFRJWXPGSKS-UHFFFAOYSA-N
XLogP1.50
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 51.50
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 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-6-fluoroindole-2,3-dione?
The IUPAC name of 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-6-fluoroindole-2,3-dione (CID 28782859) is 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-6-fluoroindole-2,3-dione.
What is the SMILES notation for 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-6-fluoroindole-2,3-dione?
The canonical SMILES for 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-6-fluoroindole-2,3-dione is CCc1noc(CN2C(=O)C(=O)c3ccc(F)cc32)n1.
What is the InChIKey of 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-6-fluoroindole-2,3-dione?
The InChIKey is OLHWFRJWXPGSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O3/c1-2-10-15-11(20-16-10)6-17-9-5-7(14)3-4-8(9)12(18)13(17)19/h3-5H,2,6H2,1H3.
What are the key properties of 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-6-fluoroindole-2,3-dione?
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-6-fluoroindole-2,3-dione has a molecular weight of 275.24 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-6-fluoroindole-2,3-dione is sourced from PubChem (CID 28782859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).