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

C13H9BrFN3O3 — CID 61355435

IUPAC7-bromo-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-fluoroindole-2,3-dione
SMILESCCc1noc(CN2C(=O)C(=O)c3cc(F)cc(Br)c32)n1
InChIInChI=1S/C13H9BrFN3O3/c1-2-9-16-10(21-17-9)5-18-11-7(12(19)13(18)20)3-6(15)4-8(11)14/h3-4H,2,5H2,1H3
InChIKeyRIKZGNPBGLCCON-UHFFFAOYSA-N
MW354.14 g/mol
LogP2.26
Rot. Bonds3

About 7-bromo-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-fluoroindole-2,3-dione

7-bromo-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-fluoroindole-2,3-dione (PubChem CID 61355435) has the molecular formula C13H9BrFN3O3 and a molecular weight of 354.14 g/mol. Its IUPAC name is 7-bromo-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-fluoroindole-2,3-dione.

Molecular Properties

Compound Name7-bromo-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-fluoroindole-2,3-dione
PubChem CID61355435
Molecular FormulaC13H9BrFN3O3
Molecular Weight354.14 g/mol
Exact Mass352.98
IUPAC Name7-bromo-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-fluoroindole-2,3-dione
SMILESCCc1noc(CN2C(=O)C(=O)c3cc(F)cc(Br)c32)n1
InChIInChI=1S/C13H9BrFN3O3/c1-2-9-16-10(21-17-9)5-18-11-7(12(19)13(18)20)3-6(15)4-8(11)14/h3-4H,2,5H2,1H3
InChIKeyRIKZGNPBGLCCON-UHFFFAOYSA-N
XLogP2.26
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.14
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-bromo-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-fluoroindole-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-fluoroindole-2,3-dione?
The IUPAC name of 7-bromo-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-fluoroindole-2,3-dione (CID 61355435) is 7-bromo-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-fluoroindole-2,3-dione.
What is the SMILES notation for 7-bromo-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-fluoroindole-2,3-dione?
The canonical SMILES for 7-bromo-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-fluoroindole-2,3-dione is CCc1noc(CN2C(=O)C(=O)c3cc(F)cc(Br)c32)n1.
What is the InChIKey of 7-bromo-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-fluoroindole-2,3-dione?
The InChIKey is RIKZGNPBGLCCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN3O3/c1-2-9-16-10(21-17-9)5-18-11-7(12(19)13(18)20)3-6(15)4-8(11)14/h3-4H,2,5H2,1H3.
What are the key properties of 7-bromo-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-fluoroindole-2,3-dione?
7-bromo-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-fluoroindole-2,3-dione has a molecular weight of 354.14 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-fluoroindole-2,3-dione is sourced from PubChem (CID 61355435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).