(7-fluoro-1-benzofuran-4-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

C17H16FN3O3 — CID 136562679

IUPAC(7-fluoro-1-benzofuran-4-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCc1noc(C2CCCN(C(=O)c3ccc(F)c4occc34)C2)n1
InChIInChI=1S/C17H16FN3O3/c1-10-19-16(24-20-10)11-3-2-7-21(9-11)17(22)13-4-5-14(18)15-12(13)6-8-23-15/h4-6,8,11H,2-3,7,9H2,1H3
InChIKeyIJAFMIPXGNHKDA-UHFFFAOYSA-N
MW329.33 g/mol
LogP3.28
Rot. Bonds2

About (7-fluoro-1-benzofuran-4-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

(7-fluoro-1-benzofuran-4-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 136562679) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is (7-fluoro-1-benzofuran-4-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(7-fluoro-1-benzofuran-4-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID136562679
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC Name(7-fluoro-1-benzofuran-4-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCc1noc(C2CCCN(C(=O)c3ccc(F)c4occc34)C2)n1
InChIInChI=1S/C17H16FN3O3/c1-10-19-16(24-20-10)11-3-2-7-21(9-11)17(22)13-4-5-14(18)15-12(13)6-8-23-15/h4-6,8,11H,2-3,7,9H2,1H3
InChIKeyIJAFMIPXGNHKDA-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7-fluoro-1-benzofuran-4-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

1-(Furan-3-carbonyl)-4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-YL]piperidine
CID 53121829
1-(Furan-3-carbonyl)-3-{3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-YL}piperidine
CID 124079294
N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide
CID 56747343
4-[(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2-methyl-1-benzofuran-5-yl)carbonyl]piperidine
CID 72867251
[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 15947875
[3-[3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 68931247
5-(7-fluoro-1-benzofuran-4-yl)-3-[(8S)-5-oxaspiro[3.5]nonan-8-yl]-1,2,4-oxadiazole
CID 176584900
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide
CID 55685989
[3-[3-(3-Fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone
CID 56322046
[3-[3-(3-Fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-phenylfuran-2-yl)methanone
CID 56322863
(5-Fluoro-3-methyl-1-benzofuran-2-yl)-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 56391219
(3-Ethoxyphenyl)-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 56391735

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1-benzofuran-4-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (7-fluoro-1-benzofuran-4-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 136562679) is (7-fluoro-1-benzofuran-4-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (7-fluoro-1-benzofuran-4-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (7-fluoro-1-benzofuran-4-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is Cc1noc(C2CCCN(C(=O)c3ccc(F)c4occc34)C2)n1.
What is the InChIKey of (7-fluoro-1-benzofuran-4-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is IJAFMIPXGNHKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3/c1-10-19-16(24-20-10)11-3-2-7-21(9-11)17(22)13-4-5-14(18)15-12(13)6-8-23-15/h4-6,8,11H,2-3,7,9H2,1H3.
What are the key properties of (7-fluoro-1-benzofuran-4-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
(7-fluoro-1-benzofuran-4-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 329.33 g/mol, XLogP of 3.28, 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)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 136562679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).