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

C18H14FN3O2 — CID 16955900

IUPAC4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
SMILESO=C1CC(c2nc(-c3ccccc3F)no2)CN1c1ccccc1
InChIInChI=1S/C18H14FN3O2/c19-15-9-5-4-8-14(15)17-20-18(24-21-17)12-10-16(23)22(11-12)13-6-2-1-3-7-13/h1-9,12H,10-11H2
InChIKeyBIBYLRSDBXRYLH-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.40
Rot. Bonds3

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

4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one (PubChem CID 16955900) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is 4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
PubChem CID16955900
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC Name4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
SMILESO=C1CC(c2nc(-c3ccccc3F)no2)CN1c1ccccc1
InChIInChI=1S/C18H14FN3O2/c19-15-9-5-4-8-14(15)17-20-18(24-21-17)12-10-16(23)22(11-12)13-6-2-1-3-7-13/h1-9,12H,10-11H2
InChIKeyBIBYLRSDBXRYLH-UHFFFAOYSA-N
XLogP3.40
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one?
The IUPAC name of 4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one (CID 16955900) is 4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for 4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one is O=C1CC(c2nc(-c3ccccc3F)no2)CN1c1ccccc1.
What is the InChIKey of 4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one?
The InChIKey is BIBYLRSDBXRYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c19-15-9-5-4-8-14(15)17-20-18(24-21-17)12-10-16(23)22(11-12)13-6-2-1-3-7-13/h1-9,12H,10-11H2.
What are the key properties of 4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one?
4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one has a molecular weight of 323.33 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 16955900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).