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

C22H15F2N3O4 — CID 71794459

IUPAC5-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[2-(2-fluorophenyl)-2-oxoethyl]pyridin-2-one
SMILESCOc1ccc(-c2noc(-c3ccc(=O)n(CC(=O)c4ccccc4F)c3)n2)cc1F
InChIInChI=1S/C22H15F2N3O4/c1-30-19-8-6-13(10-17(19)24)21-25-22(31-26-21)14-7-9-20(29)27(11-14)12-18(28)15-4-2-3-5-16(15)23/h2-11H,12H2,1H3
InChIKeyRXQGKPSMCTWXHL-UHFFFAOYSA-N
MW423.38 g/mol
LogP3.73
Rot. Bonds6

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

5-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[2-(2-fluorophenyl)-2-oxoethyl]pyridin-2-one (PubChem CID 71794459) has the molecular formula C22H15F2N3O4 and a molecular weight of 423.38 g/mol. Its IUPAC name is 5-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[2-(2-fluorophenyl)-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name5-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[2-(2-fluorophenyl)-2-oxoethyl]pyridin-2-one
PubChem CID71794459
Molecular FormulaC22H15F2N3O4
Molecular Weight423.38 g/mol
Exact Mass423.10
IUPAC Name5-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[2-(2-fluorophenyl)-2-oxoethyl]pyridin-2-one
SMILESCOc1ccc(-c2noc(-c3ccc(=O)n(CC(=O)c4ccccc4F)c3)n2)cc1F
InChIInChI=1S/C22H15F2N3O4/c1-30-19-8-6-13(10-17(19)24)21-25-22(31-26-21)14-7-9-20(29)27(11-14)12-18(28)15-4-2-3-5-16(15)23/h2-11H,12H2,1H3
InChIKeyRXQGKPSMCTWXHL-UHFFFAOYSA-N
XLogP3.73
TPSA87.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.38
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[2-(2-fluorophenyl)-2-oxoethyl]pyridin-2-one?
The IUPAC name of 5-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[2-(2-fluorophenyl)-2-oxoethyl]pyridin-2-one (CID 71794459) is 5-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[2-(2-fluorophenyl)-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 5-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[2-(2-fluorophenyl)-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 5-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[2-(2-fluorophenyl)-2-oxoethyl]pyridin-2-one is COc1ccc(-c2noc(-c3ccc(=O)n(CC(=O)c4ccccc4F)c3)n2)cc1F.
What is the InChIKey of 5-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[2-(2-fluorophenyl)-2-oxoethyl]pyridin-2-one?
The InChIKey is RXQGKPSMCTWXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N3O4/c1-30-19-8-6-13(10-17(19)24)21-25-22(31-26-21)14-7-9-20(29)27(11-14)12-18(28)15-4-2-3-5-16(15)23/h2-11H,12H2,1H3.
What are the key properties of 5-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[2-(2-fluorophenyl)-2-oxoethyl]pyridin-2-one?
5-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[2-(2-fluorophenyl)-2-oxoethyl]pyridin-2-one has a molecular weight of 423.38 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[2-(2-fluorophenyl)-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 71794459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).