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

C15H12FN3O2 — CID 167938775

IUPAC5-ethyl-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
SMILESCCc1c[nH]c(=O)c(-c2nc(-c3ccc(F)cc3)no2)c1
InChIInChI=1S/C15H12FN3O2/c1-2-9-7-12(14(20)17-8-9)15-18-13(19-21-15)10-3-5-11(16)6-4-10/h3-8H,2H2,1H3,(H,17,20)
InChIKeySWHGCWDMASBEMM-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.79
Rot. Bonds3

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

5-ethyl-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one (PubChem CID 167938775) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 5-ethyl-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-ethyl-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
PubChem CID167938775
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name5-ethyl-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
SMILESCCc1c[nH]c(=O)c(-c2nc(-c3ccc(F)cc3)no2)c1
InChIInChI=1S/C15H12FN3O2/c1-2-9-7-12(14(20)17-8-9)15-18-13(19-21-15)10-3-5-11(16)6-4-10/h3-8H,2H2,1H3,(H,17,20)
InChIKeySWHGCWDMASBEMM-UHFFFAOYSA-N
XLogP2.79
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809721
3-(4-fluorophenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 817382
4-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43514752
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-methylchromen-2-one
CID 20904229
2-ethyl-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide
CID 39866769
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-8-hydroxychromen-2-one
CID 20904234
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 97058185
3-(4-fluorophenyl)-5-(5-methyl-2H-triazol-4-yl)-1,2,4-oxadiazole
CID 19326362
5-(4-fluorophenyl)-3-(4-propoxyphenyl)-1,2,4-oxadiazole
CID 46044140
3-[4-[5-(2-fluoro-5-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methyl-1H-imidazol-2-one
CID 138008057
N-ethyl-3-(4-fluorophenyl)-1,2,4-oxadiazol-5-amine
CID 62594100
6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpyridazin-3-one
CID 83274107

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one?
The IUPAC name of 5-ethyl-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one (CID 167938775) is 5-ethyl-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-ethyl-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-ethyl-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one is CCc1c[nH]c(=O)c(-c2nc(-c3ccc(F)cc3)no2)c1.
What is the InChIKey of 5-ethyl-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one?
The InChIKey is SWHGCWDMASBEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c1-2-9-7-12(14(20)17-8-9)15-18-13(19-21-15)10-3-5-11(16)6-4-10/h3-8H,2H2,1H3,(H,17,20).
What are the key properties of 5-ethyl-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one?
5-ethyl-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one has a molecular weight of 285.28 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 167938775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).