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

C21H15FN4O2 — CID 50828885

IUPAC3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1cccc(-c2nc(-c3ccc(F)cc3)no2)c1
InChIInChI=1S/C21H15FN4O2/c22-17-9-7-14(8-10-17)19-25-21(28-26-19)16-5-3-4-15(12-16)20(27)24-13-18-6-1-2-11-23-18/h1-12H,13H2,(H,24,27)
InChIKeyCMEARUXGJNSLNF-UHFFFAOYSA-N
MW374.38 g/mol
LogP3.87
Rot. Bonds5

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

3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 50828885) has the molecular formula C21H15FN4O2 and a molecular weight of 374.38 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID50828885
Molecular FormulaC21H15FN4O2
Molecular Weight374.38 g/mol
Exact Mass374.12
IUPAC Name3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1cccc(-c2nc(-c3ccc(F)cc3)no2)c1
InChIInChI=1S/C21H15FN4O2/c22-17-9-7-14(8-10-17)19-25-21(28-26-19)16-5-3-4-15(12-16)20(27)24-13-18-6-1-2-11-23-18/h1-12H,13H2,(H,24,27)
InChIKeyCMEARUXGJNSLNF-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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)benzamide (CID 50828885) is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)benzamide is O=C(NCc1ccccn1)c1cccc(-c2nc(-c3ccc(F)cc3)no2)c1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is CMEARUXGJNSLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O2/c22-17-9-7-14(8-10-17)19-25-21(28-26-19)16-5-3-4-15(12-16)20(27)24-13-18-6-1-2-11-23-18/h1-12H,13H2,(H,24,27).
What are the key properties of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)benzamide?
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-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 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 50828885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).