[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone

C20H19FN4O2 — CID 50828795

IUPAC[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cccc(-c3nc(-c4ccc(F)cc4)no3)c2)CC1
InChIInChI=1S/C20H19FN4O2/c1-24-9-11-25(12-10-24)20(26)16-4-2-3-15(13-16)19-22-18(23-27-19)14-5-7-17(21)8-6-14/h2-8,13H,9-12H2,1H3
InChIKeyLWXDLENGHANYFE-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.93
Rot. Bonds3

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

[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 50828795) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID50828795
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cccc(-c3nc(-c4ccc(F)cc4)no3)c2)CC1
InChIInChI=1S/C20H19FN4O2/c1-24-9-11-25(12-10-24)20(26)16-4-2-3-15(13-16)19-22-18(23-27-19)14-5-7-17(21)8-6-14/h2-8,13H,9-12H2,1H3
InChIKeyLWXDLENGHANYFE-UHFFFAOYSA-N
XLogP2.93
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperazin-1-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

Frequently Asked Questions

What is the IUPAC name of [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone (CID 50828795) is [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cccc(-c3nc(-c4ccc(F)cc4)no3)c2)CC1.
What is the InChIKey of [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is LWXDLENGHANYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-24-9-11-25(12-10-24)20(26)16-4-2-3-15(13-16)19-22-18(23-27-19)14-5-7-17(21)8-6-14/h2-8,13H,9-12H2,1H3.
What are the key properties of [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 366.40 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 50828795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).