4-[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one

C12H8BrN3O3 — CID 71924986

IUPAC4-[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one
SMILESCn1ccc(-c2nc(-c3ccc(Br)o3)no2)cc1=O
InChIInChI=1S/C12H8BrN3O3/c1-16-5-4-7(6-10(16)17)12-14-11(15-19-12)8-2-3-9(13)18-8/h2-6H,1H3
InChIKeyQXVYOVWZHDYLMO-UHFFFAOYSA-N
MW322.12 g/mol
LogP2.46
Rot. Bonds2

About 4-[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one

4-[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one (PubChem CID 71924986) has the molecular formula C12H8BrN3O3 and a molecular weight of 322.12 g/mol. Its IUPAC name is 4-[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one
PubChem CID71924986
Molecular FormulaC12H8BrN3O3
Molecular Weight322.12 g/mol
Exact Mass320.97
IUPAC Name4-[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one
SMILESCn1ccc(-c2nc(-c3ccc(Br)o3)no2)cc1=O
InChIInChI=1S/C12H8BrN3O3/c1-16-5-4-7(6-10(16)17)12-14-11(15-19-12)8-2-3-9(13)18-8/h2-6H,1H3
InChIKeyQXVYOVWZHDYLMO-UHFFFAOYSA-N
XLogP2.46
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.12
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one?
The IUPAC name of 4-[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one (CID 71924986) is 4-[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one is Cn1ccc(-c2nc(-c3ccc(Br)o3)no2)cc1=O.
What is the InChIKey of 4-[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one?
The InChIKey is QXVYOVWZHDYLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O3/c1-16-5-4-7(6-10(16)17)12-14-11(15-19-12)8-2-3-9(13)18-8/h2-6H,1H3.
What are the key properties of 4-[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one?
4-[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one has a molecular weight of 322.12 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 71924986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).