(7-fluoro-1-benzofuran-4-yl)-[2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone

C17H16FN3O3 — CID 136564850

IUPAC(7-fluoro-1-benzofuran-4-yl)-[2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
SMILESO=C(c1ccc(F)c2occc12)N1CCCCCC1c1ncon1
InChIInChI=1S/C17H16FN3O3/c18-13-6-5-12(11-7-9-23-15(11)13)17(22)21-8-3-1-2-4-14(21)16-19-10-24-20-16/h5-7,9-10,14H,1-4,8H2
InChIKeyOJHLJAMTZKLKLD-UHFFFAOYSA-N
MW329.33 g/mol
LogP3.71
Rot. Bonds2

About (7-fluoro-1-benzofuran-4-yl)-[2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone

(7-fluoro-1-benzofuran-4-yl)-[2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone (PubChem CID 136564850) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is (7-fluoro-1-benzofuran-4-yl)-[2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone.

Molecular Properties

Compound Name(7-fluoro-1-benzofuran-4-yl)-[2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
PubChem CID136564850
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC Name(7-fluoro-1-benzofuran-4-yl)-[2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
SMILESO=C(c1ccc(F)c2occc12)N1CCCCCC1c1ncon1
InChIInChI=1S/C17H16FN3O3/c18-13-6-5-12(11-7-9-23-15(11)13)17(22)21-8-3-1-2-4-14(21)16-19-10-24-20-16/h5-7,9-10,14H,1-4,8H2
InChIKeyOJHLJAMTZKLKLD-UHFFFAOYSA-N
XLogP3.71
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1-benzofuran-4-yl)-[2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone?
The IUPAC name of (7-fluoro-1-benzofuran-4-yl)-[2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone (CID 136564850) is (7-fluoro-1-benzofuran-4-yl)-[2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone.
What is the SMILES notation for (7-fluoro-1-benzofuran-4-yl)-[2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone?
The canonical SMILES for (7-fluoro-1-benzofuran-4-yl)-[2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone is O=C(c1ccc(F)c2occc12)N1CCCCCC1c1ncon1.
What is the InChIKey of (7-fluoro-1-benzofuran-4-yl)-[2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone?
The InChIKey is OJHLJAMTZKLKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3/c18-13-6-5-12(11-7-9-23-15(11)13)17(22)21-8-3-1-2-4-14(21)16-19-10-24-20-16/h5-7,9-10,14H,1-4,8H2.
What are the key properties of (7-fluoro-1-benzofuran-4-yl)-[2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone?
(7-fluoro-1-benzofuran-4-yl)-[2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone has a molecular weight of 329.33 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-1-benzofuran-4-yl)-[2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone is sourced from PubChem (CID 136564850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).