5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)aniline

C21H23FN4O2 — CID 25255377

IUPAC5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)aniline
SMILESCOc1ccc(F)cc1-c1noc(-c2ccc(N3CCCCC3C)c(N)c2)n1
InChIInChI=1S/C21H23FN4O2/c1-13-5-3-4-10-26(13)18-8-6-14(11-17(18)23)21-24-20(25-28-21)16-12-15(22)7-9-19(16)27-2/h6-9,11-13H,3-5,10,23H2,1-2H3
InChIKeyIPMAPVOZELNWMD-UHFFFAOYSA-N
MW382.44 g/mol
LogP4.51
Rot. Bonds4

About 5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)aniline

5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)aniline (PubChem CID 25255377) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is 5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)aniline.

Molecular Properties

Compound Name5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)aniline
PubChem CID25255377
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)aniline
SMILESCOc1ccc(F)cc1-c1noc(-c2ccc(N3CCCCC3C)c(N)c2)n1
InChIInChI=1S/C21H23FN4O2/c1-13-5-3-4-10-26(13)18-8-6-14(11-17(18)23)21-24-20(25-28-21)16-12-15(22)7-9-19(16)27-2/h6-9,11-13H,3-5,10,23H2,1-2H3
InChIKeyIPMAPVOZELNWMD-UHFFFAOYSA-N
XLogP4.51
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)aniline 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 5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)aniline?
The IUPAC name of 5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)aniline (CID 25255377) is 5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)aniline.
What is the SMILES notation for 5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)aniline?
The canonical SMILES for 5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)aniline is COc1ccc(F)cc1-c1noc(-c2ccc(N3CCCCC3C)c(N)c2)n1.
What is the InChIKey of 5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)aniline?
The InChIKey is IPMAPVOZELNWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-13-5-3-4-10-26(13)18-8-6-14(11-17(18)23)21-24-20(25-28-21)16-12-15(22)7-9-19(16)27-2/h6-9,11-13H,3-5,10,23H2,1-2H3.
What are the key properties of 5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)aniline?
5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)aniline has a molecular weight of 382.44 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(2-methylpiperidin-1-yl)aniline is sourced from PubChem (CID 25255377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).