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

C18H13F2N3O2 — CID 16956772

IUPAC1-(4-fluorophenyl)-4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
SMILESO=C1CC(c2nc(-c3ccccc3F)no2)CN1c1ccc(F)cc1
InChIInChI=1S/C18H13F2N3O2/c19-12-5-7-13(8-6-12)23-10-11(9-16(23)24)18-21-17(22-25-18)14-3-1-2-4-15(14)20/h1-8,11H,9-10H2
InChIKeyXKOBTEHQGQATMM-UHFFFAOYSA-N
MW341.32 g/mol
LogP3.54
Rot. Bonds3

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

1-(4-fluorophenyl)-4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (PubChem CID 16956772) has the molecular formula C18H13F2N3O2 and a molecular weight of 341.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
PubChem CID16956772
Molecular FormulaC18H13F2N3O2
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC Name1-(4-fluorophenyl)-4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
SMILESO=C1CC(c2nc(-c3ccccc3F)no2)CN1c1ccc(F)cc1
InChIInChI=1S/C18H13F2N3O2/c19-12-5-7-13(8-6-12)23-10-11(9-16(23)24)18-21-17(22-25-18)14-3-1-2-4-15(14)20/h1-8,11H,9-10H2
InChIKeyXKOBTEHQGQATMM-UHFFFAOYSA-N
XLogP3.54
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (CID 16956772) is 1-(4-fluorophenyl)-4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is O=C1CC(c2nc(-c3ccccc3F)no2)CN1c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The InChIKey is XKOBTEHQGQATMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O2/c19-12-5-7-13(8-6-12)23-10-11(9-16(23)24)18-21-17(22-25-18)14-3-1-2-4-15(14)20/h1-8,11H,9-10H2.
What are the key properties of 1-(4-fluorophenyl)-4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
1-(4-fluorophenyl)-4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one has a molecular weight of 341.32 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 16956772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).