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

C23H20FN3O3 — CID 91946452

IUPAC[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)N2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)oc2ccccc12
InChIInChI=1S/C23H20FN3O3/c1-14-18-4-2-3-5-19(18)29-20(14)23(28)27-12-10-16(11-13-27)22-25-21(26-30-22)15-6-8-17(24)9-7-15/h2-9,16H,10-13H2,1H3
InChIKeyGFPAHNGVWVNCDW-UHFFFAOYSA-N
MW405.43 g/mol
LogP4.95
Rot. Bonds3

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

[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone (PubChem CID 91946452) has the molecular formula C23H20FN3O3 and a molecular weight of 405.43 g/mol. Its IUPAC name is [4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
PubChem CID91946452
Molecular FormulaC23H20FN3O3
Molecular Weight405.43 g/mol
Exact Mass405.15
IUPAC Name[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)N2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)oc2ccccc12
InChIInChI=1S/C23H20FN3O3/c1-14-18-4-2-3-5-19(18)29-20(14)23(28)27-12-10-16(11-13-27)22-25-21(26-30-22)15-6-8-17(24)9-7-15/h2-9,16H,10-13H2,1H3
InChIKeyGFPAHNGVWVNCDW-UHFFFAOYSA-N
XLogP4.95
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(3,5-dimethyl-1-benzofuran-2-yl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 91946326
(3-fluorophenyl)-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 53032681
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 53003960
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 91946461
N-benzyl-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769544
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 91946483
N-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769479
1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 812457
(3-methyl-1-benzofuran-2-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 16676076
(3,5-dimethylphenyl)-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 53051382
3,4-dihydro-1H-isoquinolin-2-yl-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 118712633
N-(3,5-dimethylphenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769376

Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of [4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone (CID 91946452) is [4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for [4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone is Cc1c(C(=O)N2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)oc2ccccc12.
What is the InChIKey of [4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is GFPAHNGVWVNCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3/c1-14-18-4-2-3-5-19(18)29-20(14)23(28)27-12-10-16(11-13-27)22-25-21(26-30-22)15-6-8-17(24)9-7-15/h2-9,16H,10-13H2,1H3.
What are the key properties of [4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone?
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 405.43 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 91946452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).