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

C13H10FN3O3 — CID 61356951

IUPAC7-fluoro-5-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione
SMILESCc1cc(F)c2c(c1)C(=O)C(=O)N2Cc1nnc(C)o1
InChIInChI=1S/C13H10FN3O3/c1-6-3-8-11(9(14)4-6)17(13(19)12(8)18)5-10-16-15-7(2)20-10/h3-4H,5H2,1-2H3
InChIKeyOIPJUXXJJTYOSO-UHFFFAOYSA-N
MW275.24 g/mol
LogP1.56
Rot. Bonds2

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

7-fluoro-5-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione (PubChem CID 61356951) has the molecular formula C13H10FN3O3 and a molecular weight of 275.24 g/mol. Its IUPAC name is 7-fluoro-5-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name7-fluoro-5-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione
PubChem CID61356951
Molecular FormulaC13H10FN3O3
Molecular Weight275.24 g/mol
Exact Mass275.07
IUPAC Name7-fluoro-5-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione
SMILESCc1cc(F)c2c(c1)C(=O)C(=O)N2Cc1nnc(C)o1
InChIInChI=1S/C13H10FN3O3/c1-6-3-8-11(9(14)4-6)17(13(19)12(8)18)5-10-16-15-7(2)20-10/h3-4H,5H2,1-2H3
InChIKeyOIPJUXXJJTYOSO-UHFFFAOYSA-N
XLogP1.56
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 51.56
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 7-fluoro-5-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione?
The IUPAC name of 7-fluoro-5-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione (CID 61356951) is 7-fluoro-5-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 7-fluoro-5-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione?
The canonical SMILES for 7-fluoro-5-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione is Cc1cc(F)c2c(c1)C(=O)C(=O)N2Cc1nnc(C)o1.
What is the InChIKey of 7-fluoro-5-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione?
The InChIKey is OIPJUXXJJTYOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O3/c1-6-3-8-11(9(14)4-6)17(13(19)12(8)18)5-10-16-15-7(2)20-10/h3-4H,5H2,1-2H3.
What are the key properties of 7-fluoro-5-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione?
7-fluoro-5-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione has a molecular weight of 275.24 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 61356951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).