1-[2-[5-(7-fluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone

C16H14FN3O3 — CID 146141333

IUPAC1-[2-[5-(7-fluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1noc(-c2ccc(F)c3occc23)n1
InChIInChI=1S/C16H14FN3O3/c1-9(21)20-7-2-3-13(20)15-18-16(23-19-15)11-4-5-12(17)14-10(11)6-8-22-14/h4-6,8,13H,2-3,7H2,1H3
InChIKeyYEJKCGCLYBLCRR-UHFFFAOYSA-N
MW315.30 g/mol
LogP3.31
Rot. Bonds2

About 1-[2-[5-(7-fluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone

1-[2-[5-(7-fluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone (PubChem CID 146141333) has the molecular formula C16H14FN3O3 and a molecular weight of 315.30 g/mol. Its IUPAC name is 1-[2-[5-(7-fluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[5-(7-fluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone
PubChem CID146141333
Molecular FormulaC16H14FN3O3
Molecular Weight315.30 g/mol
Exact Mass315.10
IUPAC Name1-[2-[5-(7-fluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1noc(-c2ccc(F)c3occc23)n1
InChIInChI=1S/C16H14FN3O3/c1-9(21)20-7-2-3-13(20)15-18-16(23-19-15)11-4-5-12(17)14-10(11)6-8-22-14/h4-6,8,13H,2-3,7H2,1H3
InChIKeyYEJKCGCLYBLCRR-UHFFFAOYSA-N
XLogP3.31
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(7-fluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-[5-(7-fluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone (CID 146141333) is 1-[2-[5-(7-fluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[5-(7-fluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[5-(7-fluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1c1noc(-c2ccc(F)c3occc23)n1.
What is the InChIKey of 1-[2-[5-(7-fluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is YEJKCGCLYBLCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3/c1-9(21)20-7-2-3-13(20)15-18-16(23-19-15)11-4-5-12(17)14-10(11)6-8-22-14/h4-6,8,13H,2-3,7H2,1H3.
What are the key properties of 1-[2-[5-(7-fluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone?
1-[2-[5-(7-fluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 315.30 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(7-fluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 146141333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).