5-(5-amino-1,3,4-oxadiazol-2-yl)-4-(4-bromo-2-fluoroanilino)-1,3-dimethylpyridin-2-one

C15H13BrFN5O2 — CID 11474884

IUPAC5-(5-amino-1,3,4-oxadiazol-2-yl)-4-(4-bromo-2-fluoroanilino)-1,3-dimethylpyridin-2-one
SMILESCc1c(Nc2ccc(Br)cc2F)c(-c2nnc(N)o2)cn(C)c1=O
InChIInChI=1S/C15H13BrFN5O2/c1-7-12(19-11-4-3-8(16)5-10(11)17)9(6-22(2)14(7)23)13-20-21-15(18)24-13/h3-6,19H,1-2H3,(H2,18,21)
InChIKeyNYOFJVWMWXJYTK-UHFFFAOYSA-N
MW394.20 g/mol
LogP2.97
Rot. Bonds3

About 5-(5-amino-1,3,4-oxadiazol-2-yl)-4-(4-bromo-2-fluoroanilino)-1,3-dimethylpyridin-2-one

5-(5-amino-1,3,4-oxadiazol-2-yl)-4-(4-bromo-2-fluoroanilino)-1,3-dimethylpyridin-2-one (PubChem CID 11474884) has the molecular formula C15H13BrFN5O2 and a molecular weight of 394.20 g/mol. Its IUPAC name is 5-(5-amino-1,3,4-oxadiazol-2-yl)-4-(4-bromo-2-fluoroanilino)-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-(5-amino-1,3,4-oxadiazol-2-yl)-4-(4-bromo-2-fluoroanilino)-1,3-dimethylpyridin-2-one
PubChem CID11474884
Molecular FormulaC15H13BrFN5O2
Molecular Weight394.20 g/mol
Exact Mass393.02
IUPAC Name5-(5-amino-1,3,4-oxadiazol-2-yl)-4-(4-bromo-2-fluoroanilino)-1,3-dimethylpyridin-2-one
SMILESCc1c(Nc2ccc(Br)cc2F)c(-c2nnc(N)o2)cn(C)c1=O
InChIInChI=1S/C15H13BrFN5O2/c1-7-12(19-11-4-3-8(16)5-10(11)17)9(6-22(2)14(7)23)13-20-21-15(18)24-13/h3-6,19H,1-2H3,(H2,18,21)
InChIKeyNYOFJVWMWXJYTK-UHFFFAOYSA-N
XLogP2.97
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.20
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-1,3,4-oxadiazol-2-yl)-4-(4-bromo-2-fluoroanilino)-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-(5-amino-1,3,4-oxadiazol-2-yl)-4-(4-bromo-2-fluoroanilino)-1,3-dimethylpyridin-2-one (CID 11474884) is 5-(5-amino-1,3,4-oxadiazol-2-yl)-4-(4-bromo-2-fluoroanilino)-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-(5-amino-1,3,4-oxadiazol-2-yl)-4-(4-bromo-2-fluoroanilino)-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-(5-amino-1,3,4-oxadiazol-2-yl)-4-(4-bromo-2-fluoroanilino)-1,3-dimethylpyridin-2-one is Cc1c(Nc2ccc(Br)cc2F)c(-c2nnc(N)o2)cn(C)c1=O.
What is the InChIKey of 5-(5-amino-1,3,4-oxadiazol-2-yl)-4-(4-bromo-2-fluoroanilino)-1,3-dimethylpyridin-2-one?
The InChIKey is NYOFJVWMWXJYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN5O2/c1-7-12(19-11-4-3-8(16)5-10(11)17)9(6-22(2)14(7)23)13-20-21-15(18)24-13/h3-6,19H,1-2H3,(H2,18,21).
What are the key properties of 5-(5-amino-1,3,4-oxadiazol-2-yl)-4-(4-bromo-2-fluoroanilino)-1,3-dimethylpyridin-2-one?
5-(5-amino-1,3,4-oxadiazol-2-yl)-4-(4-bromo-2-fluoroanilino)-1,3-dimethylpyridin-2-one has a molecular weight of 394.20 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-1,3,4-oxadiazol-2-yl)-4-(4-bromo-2-fluoroanilino)-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 11474884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).