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

C16H14FN3O3 — CID 146141331

IUPAC1-[2-[5-(5-fluoro-1-benzofuran-7-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1noc(-c2cc(F)cc3ccoc23)n1
InChIInChI=1S/C16H14FN3O3/c1-9(21)20-5-2-3-13(20)15-18-16(23-19-15)12-8-11(17)7-10-4-6-22-14(10)12/h4,6-8,13H,2-3,5H2,1H3
InChIKeyOCHZECVLXPGTQN-UHFFFAOYSA-N
MW315.30 g/mol
LogP3.31
Rot. Bonds2

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

1-[2-[5-(5-fluoro-1-benzofuran-7-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone (PubChem CID 146141331) has the molecular formula C16H14FN3O3 and a molecular weight of 315.30 g/mol. Its IUPAC name is 1-[2-[5-(5-fluoro-1-benzofuran-7-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[5-(5-fluoro-1-benzofuran-7-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone
PubChem CID146141331
Molecular FormulaC16H14FN3O3
Molecular Weight315.30 g/mol
Exact Mass315.10
IUPAC Name1-[2-[5-(5-fluoro-1-benzofuran-7-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1noc(-c2cc(F)cc3ccoc23)n1
InChIInChI=1S/C16H14FN3O3/c1-9(21)20-5-2-3-13(20)15-18-16(23-19-15)12-8-11(17)7-10-4-6-22-14(10)12/h4,6-8,13H,2-3,5H2,1H3
InChIKeyOCHZECVLXPGTQN-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-fluoro-1-benzofuran-7-yl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 136564169
(3R)-3-[5-(5-fluoro-1-benzofuran-7-yl)-1,2,4-oxadiazol-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine
CID 154782566
(2-methylfuran-3-yl)-[(2R)-2-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]methanone
CID 97346030
(3-methylfuran-2-yl)-[2-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]methanone
CID 75475289
2-[2-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-2-oxoethyl]sulfanylacetic acid
CID 120552919
tert-butyl (2S)-2-[5-(3-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxylate
CID 118355353
tert-butyl (2S)-2-[5-(4-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxylate
CID 130468627
2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide
CID 91920649
1-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-2-(1-methylpyrazol-4-yl)ethanone
CID 75475127
1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 124500835
tert-butyl 2-[5-(3-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]azetidine-1-carboxylate
CID 118677205
[2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 91920648

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(5-fluoro-1-benzofuran-7-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-[5-(5-fluoro-1-benzofuran-7-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone (CID 146141331) is 1-[2-[5-(5-fluoro-1-benzofuran-7-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[5-(5-fluoro-1-benzofuran-7-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[5-(5-fluoro-1-benzofuran-7-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1c1noc(-c2cc(F)cc3ccoc23)n1.
What is the InChIKey of 1-[2-[5-(5-fluoro-1-benzofuran-7-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is OCHZECVLXPGTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3/c1-9(21)20-5-2-3-13(20)15-18-16(23-19-15)12-8-11(17)7-10-4-6-22-14(10)12/h4,6-8,13H,2-3,5H2,1H3.
What are the key properties of 1-[2-[5-(5-fluoro-1-benzofuran-7-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone?
1-[2-[5-(5-fluoro-1-benzofuran-7-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-(5-fluoro-1-benzofuran-7-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 146141331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).