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

C17H16FN3O3 — CID 136562680

IUPAC(7-fluoro-1-benzofuran-4-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCc1noc(C2CCN(C(=O)c3ccc(F)c4occc34)CC2)n1
InChIInChI=1S/C17H16FN3O3/c1-10-19-16(24-20-10)11-4-7-21(8-5-11)17(22)13-2-3-14(18)15-12(13)6-9-23-15/h2-3,6,9,11H,4-5,7-8H2,1H3
InChIKeyJMZGYUDTBLHEAK-UHFFFAOYSA-N
MW329.33 g/mol
LogP3.28
Rot. Bonds2

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

(7-fluoro-1-benzofuran-4-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 136562680) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is (7-fluoro-1-benzofuran-4-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(7-fluoro-1-benzofuran-4-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID136562680
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC Name(7-fluoro-1-benzofuran-4-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCc1noc(C2CCN(C(=O)c3ccc(F)c4occc34)CC2)n1
InChIInChI=1S/C17H16FN3O3/c1-10-19-16(24-20-10)11-4-7-21(8-5-11)17(22)13-2-3-14(18)15-12(13)6-9-23-15/h2-3,6,9,11H,4-5,7-8H2,1H3
InChIKeyJMZGYUDTBLHEAK-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)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

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
[3-[4-[3-(2-Fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-2-methylphenyl] acetate
CID 132463708
4-Ethyl-6-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-4,7-dihydrofuro[2,3-c]pyridin-5-one
CID 166851158
5-(7-fluoro-1-benzofuran-4-yl)-3-[(8S)-5-oxaspiro[3.5]nonan-8-yl]-1,2,4-oxadiazole
CID 176584900
1-{2-[3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-YL]benzoyl}-4-(furan-2-carbonyl)piperazine
CID 46288623
[5-(2-Fluorophenyl)furan-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 51120876
(2E)-1-{3-[5-(3-Fluorophenyl)-1,2,4-oxadiazol-3-YL]piperidin-1-YL}-3-(furan-2-YL)prop-2-EN-1-one
CID 53140897
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide
CID 55685989
2-benzo[e][1]benzofuran-1-yl-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 56222533
1-[3-[3-(3-Fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one
CID 56391981

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1-benzofuran-4-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (7-fluoro-1-benzofuran-4-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 136562680) is (7-fluoro-1-benzofuran-4-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (7-fluoro-1-benzofuran-4-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (7-fluoro-1-benzofuran-4-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is Cc1noc(C2CCN(C(=O)c3ccc(F)c4occc34)CC2)n1.
What is the InChIKey of (7-fluoro-1-benzofuran-4-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is JMZGYUDTBLHEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3/c1-10-19-16(24-20-10)11-4-7-21(8-5-11)17(22)13-2-3-14(18)15-12(13)6-9-23-15/h2-3,6,9,11H,4-5,7-8H2,1H3.
What are the key properties of (7-fluoro-1-benzofuran-4-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
(7-fluoro-1-benzofuran-4-yl)-[4-(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)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 136562680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).