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

C21H15FN4O2 — CID 50828876

IUPAC4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(-c3nc(-c4ccc(F)cc4)no3)cc2)nc1
InChIInChI=1S/C21H15FN4O2/c1-13-2-11-18(23-12-13)24-20(27)15-3-5-16(6-4-15)21-25-19(26-28-21)14-7-9-17(22)10-8-14/h2-12H,1H3,(H,23,24,27)
InChIKeyJZQIGRGOZFYKGA-UHFFFAOYSA-N
MW374.38 g/mol
LogP4.50
Rot. Bonds4

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

4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-2-pyridinyl)benzamide (PubChem CID 50828876) has the molecular formula C21H15FN4O2 and a molecular weight of 374.38 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-2-pyridinyl)benzamide
PubChem CID50828876
Molecular FormulaC21H15FN4O2
Molecular Weight374.38 g/mol
Exact Mass374.12
IUPAC Name4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(-c3nc(-c4ccc(F)cc4)no3)cc2)nc1
InChIInChI=1S/C21H15FN4O2/c1-13-2-11-18(23-12-13)24-20(27)15-3-5-16(6-4-15)21-25-19(26-28-21)14-7-9-17(22)10-8-14/h2-12H,1H3,(H,23,24,27)
InChIKeyJZQIGRGOZFYKGA-UHFFFAOYSA-N
XLogP4.50
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-2-pyridinyl)benzamide?
The IUPAC name of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-2-pyridinyl)benzamide (CID 50828876) is 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-2-pyridinyl)benzamide is Cc1ccc(NC(=O)c2ccc(-c3nc(-c4ccc(F)cc4)no3)cc2)nc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-2-pyridinyl)benzamide?
The InChIKey is JZQIGRGOZFYKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O2/c1-13-2-11-18(23-12-13)24-20(27)15-3-5-16(6-4-15)21-25-19(26-28-21)14-7-9-17(22)10-8-14/h2-12H,1H3,(H,23,24,27).
What are the key properties of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-2-pyridinyl)benzamide?
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-2-pyridinyl)benzamide has a molecular weight of 374.38 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 50828876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).