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

C12H7F2N3O3 — CID 61360268

IUPAC4,6-difluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione
SMILESCc1noc(CN2C(=O)C(=O)c3c(F)cc(F)cc32)n1
InChIInChI=1S/C12H7F2N3O3/c1-5-15-9(20-16-5)4-17-8-3-6(13)2-7(14)10(8)11(18)12(17)19/h2-3H,4H2,1H3
InChIKeyLGOAEHKRENARRK-UHFFFAOYSA-N
MW279.20 g/mol
LogP1.39
Rot. Bonds2

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

4,6-difluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione (PubChem CID 61360268) has the molecular formula C12H7F2N3O3 and a molecular weight of 279.20 g/mol. Its IUPAC name is 4,6-difluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name4,6-difluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione
PubChem CID61360268
Molecular FormulaC12H7F2N3O3
Molecular Weight279.20 g/mol
Exact Mass279.05
IUPAC Name4,6-difluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione
SMILESCc1noc(CN2C(=O)C(=O)c3c(F)cc(F)cc32)n1
InChIInChI=1S/C12H7F2N3O3/c1-5-15-9(20-16-5)4-17-8-3-6(13)2-7(14)10(8)11(18)12(17)19/h2-3H,4H2,1H3
InChIKeyLGOAEHKRENARRK-UHFFFAOYSA-N
XLogP1.39
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.20
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4,6-difluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-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 4,6-difluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione?
The IUPAC name of 4,6-difluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione (CID 61360268) is 4,6-difluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 4,6-difluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione?
The canonical SMILES for 4,6-difluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione is Cc1noc(CN2C(=O)C(=O)c3c(F)cc(F)cc32)n1.
What is the InChIKey of 4,6-difluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione?
The InChIKey is LGOAEHKRENARRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2N3O3/c1-5-15-9(20-16-5)4-17-8-3-6(13)2-7(14)10(8)11(18)12(17)19/h2-3H,4H2,1H3.
What are the key properties of 4,6-difluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione?
4,6-difluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione has a molecular weight of 279.20 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 61360268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).