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

C13H9F2N3O3 — CID 61356644

IUPAC1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5,7-difluoroindole-2,3-dione
SMILESCCc1noc(CN2C(=O)C(=O)c3cc(F)cc(F)c32)n1
InChIInChI=1S/C13H9F2N3O3/c1-2-9-16-10(21-17-9)5-18-11-7(12(19)13(18)20)3-6(14)4-8(11)15/h3-4H,2,5H2,1H3
InChIKeyOQDUAYCQBPGBOK-UHFFFAOYSA-N
MW293.23 g/mol
LogP1.64
Rot. Bonds3

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

1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5,7-difluoroindole-2,3-dione (PubChem CID 61356644) has the molecular formula C13H9F2N3O3 and a molecular weight of 293.23 g/mol. Its IUPAC name is 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5,7-difluoroindole-2,3-dione.

Molecular Properties

Compound Name1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5,7-difluoroindole-2,3-dione
PubChem CID61356644
Molecular FormulaC13H9F2N3O3
Molecular Weight293.23 g/mol
Exact Mass293.06
IUPAC Name1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5,7-difluoroindole-2,3-dione
SMILESCCc1noc(CN2C(=O)C(=O)c3cc(F)cc(F)c32)n1
InChIInChI=1S/C13H9F2N3O3/c1-2-9-16-10(21-17-9)5-18-11-7(12(19)13(18)20)3-6(14)4-8(11)15/h3-4H,2,5H2,1H3
InChIKeyOQDUAYCQBPGBOK-UHFFFAOYSA-N
XLogP1.64
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 51.64
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]-5,7-difluoroindole-2,3-dione?
The IUPAC name of 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5,7-difluoroindole-2,3-dione (CID 61356644) is 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5,7-difluoroindole-2,3-dione.
What is the SMILES notation for 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5,7-difluoroindole-2,3-dione?
The canonical SMILES for 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5,7-difluoroindole-2,3-dione is CCc1noc(CN2C(=O)C(=O)c3cc(F)cc(F)c32)n1.
What is the InChIKey of 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5,7-difluoroindole-2,3-dione?
The InChIKey is OQDUAYCQBPGBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3O3/c1-2-9-16-10(21-17-9)5-18-11-7(12(19)13(18)20)3-6(14)4-8(11)15/h3-4H,2,5H2,1H3.
What are the key properties of 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5,7-difluoroindole-2,3-dione?
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5,7-difluoroindole-2,3-dione has a molecular weight of 293.23 g/mol, XLogP of 1.64, 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]-5,7-difluoroindole-2,3-dione is sourced from PubChem (CID 61356644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).