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

C21H20FN3O2 — CID 3225896

IUPAC[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCCC(c3nc(-c4ccc(F)cc4)no3)C2)c1
InChIInChI=1S/C21H20FN3O2/c1-14-4-2-5-16(12-14)21(26)25-11-3-6-17(13-25)20-23-19(24-27-20)15-7-9-18(22)10-8-15/h2,4-5,7-10,12,17H,3,6,11,13H2,1H3
InChIKeyLXAPCWILWBIBSE-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.20
Rot. Bonds3

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

[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methylphenyl)methanone (PubChem CID 3225896) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methylphenyl)methanone
PubChem CID3225896
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCCC(c3nc(-c4ccc(F)cc4)no3)C2)c1
InChIInChI=1S/C21H20FN3O2/c1-14-4-2-5-16(12-14)21(26)25-11-3-6-17(13-25)20-23-19(24-27-20)15-7-9-18(22)10-8-15/h2,4-5,7-10,12,17H,3,6,11,13H2,1H3
InChIKeyLXAPCWILWBIBSE-UHFFFAOYSA-N
XLogP4.20
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methylphenyl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methylphenyl)methanone?
The IUPAC name of [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methylphenyl)methanone (CID 3225896) is [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methylphenyl)methanone is Cc1cccc(C(=O)N2CCCC(c3nc(-c4ccc(F)cc4)no3)C2)c1.
What is the InChIKey of [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methylphenyl)methanone?
The InChIKey is LXAPCWILWBIBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-14-4-2-5-16(12-14)21(26)25-11-3-6-17(13-25)20-23-19(24-27-20)15-7-9-18(22)10-8-15/h2,4-5,7-10,12,17H,3,6,11,13H2,1H3.
What are the key properties of [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methylphenyl)methanone?
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methylphenyl)methanone has a molecular weight of 365.41 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 3225896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).