2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-phenylacetamide

C21H15FN4O3 — CID 53141559

IUPAC2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-phenylacetamide
SMILESO=C(Cn1c(-c2nc(-c3cccc(F)c3)no2)cccc1=O)Nc1ccccc1
InChIInChI=1S/C21H15FN4O3/c22-15-7-4-6-14(12-15)20-24-21(29-25-20)17-10-5-11-19(28)26(17)13-18(27)23-16-8-2-1-3-9-16/h1-12H,13H2,(H,23,27)
InChIKeyWQONLARAIYVFJJ-UHFFFAOYSA-N
MW390.37 g/mol
LogP3.34
Rot. Bonds5

About 2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-phenylacetamide

2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-phenylacetamide (PubChem CID 53141559) has the molecular formula C21H15FN4O3 and a molecular weight of 390.37 g/mol. Its IUPAC name is 2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-phenylacetamide
PubChem CID53141559
Molecular FormulaC21H15FN4O3
Molecular Weight390.37 g/mol
Exact Mass390.11
IUPAC Name2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-phenylacetamide
SMILESO=C(Cn1c(-c2nc(-c3cccc(F)c3)no2)cccc1=O)Nc1ccccc1
InChIInChI=1S/C21H15FN4O3/c22-15-7-4-6-14(12-15)20-24-21(29-25-20)17-10-5-11-19(28)26(17)13-18(27)23-16-8-2-1-3-9-16/h1-12H,13H2,(H,23,27)
InChIKeyWQONLARAIYVFJJ-UHFFFAOYSA-N
XLogP3.34
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-1-pyridinyl]-N-phenylacetamide
CID 53141456
2-[2-oxo-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]-N-propan-2-ylacetamide
CID 53141525
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-1-pyridinyl]-N-(4-methylphenyl)acetamide
CID 53141444
N-(4-bromophenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-1-pyridinyl]acetamide
CID 53141452
2-(4-fluorophenyl)-N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 39854255
2-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-propan-2-ylacetamide
CID 53141589
N-(3-fluorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide
CID 53157397
N-(3-fluorophenyl)-2-[2-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53178042
N-(4-fluorophenyl)-2-[2-oxo-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
CID 51369598
3-(3-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 139220637
N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 35521878
N-(3-methoxyphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide
CID 75526963

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-phenylacetamide?
The IUPAC name of 2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-phenylacetamide (CID 53141559) is 2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-phenylacetamide.
What is the SMILES notation for 2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-phenylacetamide?
The canonical SMILES for 2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-phenylacetamide is O=C(Cn1c(-c2nc(-c3cccc(F)c3)no2)cccc1=O)Nc1ccccc1.
What is the InChIKey of 2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-phenylacetamide?
The InChIKey is WQONLARAIYVFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O3/c22-15-7-4-6-14(12-15)20-24-21(29-25-20)17-10-5-11-19(28)26(17)13-18(27)23-16-8-2-1-3-9-16/h1-12H,13H2,(H,23,27).
What are the key properties of 2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-phenylacetamide?
2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-phenylacetamide has a molecular weight of 390.37 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-phenylacetamide is sourced from PubChem (CID 53141559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).