4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)benzamide

C21H15FN4O2 — CID 50828929

IUPAC4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(-c2nc(-c3cccc(F)c3)no2)cc1
InChIInChI=1S/C21H15FN4O2/c22-18-5-1-4-17(11-18)19-25-21(28-26-19)16-8-6-15(7-9-16)20(27)24-13-14-3-2-10-23-12-14/h1-12H,13H2,(H,24,27)
InChIKeyXPTLXALSRKMWPQ-UHFFFAOYSA-N
MW374.38 g/mol
LogP3.87
Rot. Bonds5

About 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)benzamide

4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 50828929) has the molecular formula C21H15FN4O2 and a molecular weight of 374.38 g/mol. Its IUPAC name is 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID50828929
Molecular FormulaC21H15FN4O2
Molecular Weight374.38 g/mol
Exact Mass374.12
IUPAC Name4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(-c2nc(-c3cccc(F)c3)no2)cc1
InChIInChI=1S/C21H15FN4O2/c22-18-5-1-4-17(11-18)19-25-21(28-26-19)16-8-6-15(7-9-16)20(27)24-13-14-3-2-10-23-12-14/h1-12H,13H2,(H,24,27)
InChIKeyXPTLXALSRKMWPQ-UHFFFAOYSA-N
XLogP3.87
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)benzamide 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 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)benzamide (CID 50828929) is 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)benzamide is O=C(NCc1cccnc1)c1ccc(-c2nc(-c3cccc(F)c3)no2)cc1.
What is the InChIKey of 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is XPTLXALSRKMWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O2/c22-18-5-1-4-17(11-18)19-25-21(28-26-19)16-8-6-15(7-9-16)20(27)24-13-14-3-2-10-23-12-14/h1-12H,13H2,(H,24,27).
What are the key properties of 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)benzamide?
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 374.38 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 50828929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).