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

C19H13FN4O2 — CID 166850879

IUPAC5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one
SMILESO=c1ccc(-c2nc(-c3ccccc3F)no2)cn1Cc1cccnc1
InChIInChI=1S/C19H13FN4O2/c20-16-6-2-1-5-15(16)18-22-19(26-23-18)14-7-8-17(25)24(12-14)11-13-4-3-9-21-10-13/h1-10,12H,11H2
InChIKeyZDGCFCPJCNUQCJ-UHFFFAOYSA-N
MW348.34 g/mol
LogP3.15
Rot. Bonds4

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

5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one (PubChem CID 166850879) has the molecular formula C19H13FN4O2 and a molecular weight of 348.34 g/mol. Its IUPAC name is 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one
PubChem CID166850879
Molecular FormulaC19H13FN4O2
Molecular Weight348.34 g/mol
Exact Mass348.10
IUPAC Name5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one
SMILESO=c1ccc(-c2nc(-c3ccccc3F)no2)cn1Cc1cccnc1
InChIInChI=1S/C19H13FN4O2/c20-16-6-2-1-5-15(16)18-22-19(26-23-18)14-7-8-17(25)24(12-14)11-13-4-3-9-21-10-13/h1-10,12H,11H2
InChIKeyZDGCFCPJCNUQCJ-UHFFFAOYSA-N
XLogP3.15
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-one
CID 166850657
5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyrimidin-5-ylmethyl)pyridin-2-one
CID 166850823
2-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 63795660
4-amino-5-fluoro-1-(pyridin-3-ylmethyl)pyrimidin-2-one
CID 58166492
1-[(4-methylphenyl)methyl]-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one
CID 86712164
2-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methoxyethyl)butanamide
CID 71794447
1-[(3-prop-2-enoxyphenyl)methyl]-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one
CID 86712188
1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine
CID 77081878
5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(pyrazin-2-ylmethyl)pyridin-2-amine
CID 28871899
1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 73332715
3-(2-chlorophenyl)-5-pyridin-3-yl-1,2,4-oxadiazole
CID 2031229
3-(3,4-difluorophenyl)-5-[1-(pyridin-3-ylmethyl)-2H-pyridin-5-yl]-1,2,4-oxadiazole
CID 175923242

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one?
The IUPAC name of 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one (CID 166850879) is 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one.
What is the SMILES notation for 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one?
The canonical SMILES for 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one is O=c1ccc(-c2nc(-c3ccccc3F)no2)cn1Cc1cccnc1.
What is the InChIKey of 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one?
The InChIKey is ZDGCFCPJCNUQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O2/c20-16-6-2-1-5-15(16)18-22-19(26-23-18)14-7-8-17(25)24(12-14)11-13-4-3-9-21-10-13/h1-10,12H,11H2.
What are the key properties of 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one?
5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one has a molecular weight of 348.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one is sourced from PubChem (CID 166850879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).