3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3H-pyridin-6-one

C13H8FN3O2 — CID 178202177

IUPAC3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3H-pyridin-6-one
SMILESO=C1C=CC(c2nc(-c3ccc(F)cc3)no2)C=N1
InChIInChI=1S/C13H8FN3O2/c14-10-4-1-8(2-5-10)12-16-13(19-17-12)9-3-6-11(18)15-7-9/h1-7,9H
InChIKeyOWVJSVHTDAKDEF-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.13
Rot. Bonds2

About 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3H-pyridin-6-one

3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3H-pyridin-6-one (PubChem CID 178202177) has the molecular formula C13H8FN3O2 and a molecular weight of 257.22 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3H-pyridin-6-one.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3H-pyridin-6-one
PubChem CID178202177
Molecular FormulaC13H8FN3O2
Molecular Weight257.22 g/mol
Exact Mass257.06
IUPAC Name3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3H-pyridin-6-one
SMILESO=C1C=CC(c2nc(-c3ccc(F)cc3)no2)C=N1
InChIInChI=1S/C13H8FN3O2/c14-10-4-1-8(2-5-10)12-16-13(19-17-12)9-3-6-11(18)15-7-9/h1-7,9H
InChIKeyOWVJSVHTDAKDEF-UHFFFAOYSA-N
XLogP2.13
TPSA68.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-pyridin-6-one
CID 156589447
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66239289
6-fluoro-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one
CID 167998614
3-(4-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 3998388
azetidin-1-yl-[(1S,2S,3S,4R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-bicyclo[2.2.1]heptanyl]methanone
CID 171337170
(3R,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 51136219
[(1R,2S)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-pyrrolidin-1-ylmethanone
CID 100659445
(4R)-1-(4-fluorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 41014908
4-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 16955929
cyclopropyl-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 42760653
3-[4-(4-fluorophenyl)phenyl]-5-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 3095336
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66251331

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3H-pyridin-6-one?
The IUPAC name of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3H-pyridin-6-one (CID 178202177) is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3H-pyridin-6-one.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3H-pyridin-6-one?
The canonical SMILES for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3H-pyridin-6-one is O=C1C=CC(c2nc(-c3ccc(F)cc3)no2)C=N1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3H-pyridin-6-one?
The InChIKey is OWVJSVHTDAKDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O2/c14-10-4-1-8(2-5-10)12-16-13(19-17-12)9-3-6-11(18)15-7-9/h1-7,9H.
What are the key properties of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3H-pyridin-6-one?
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3H-pyridin-6-one has a molecular weight of 257.22 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3H-pyridin-6-one is sourced from PubChem (CID 178202177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).