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

C18H14FN3O2 — CID 16955920

IUPAC1-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
SMILESO=C1CC(c2nc(-c3ccccc3)no2)CN1c1ccc(F)cc1
InChIInChI=1S/C18H14FN3O2/c19-14-6-8-15(9-7-14)22-11-13(10-16(22)23)18-20-17(21-24-18)12-4-2-1-3-5-12/h1-9,13H,10-11H2
InChIKeyYIVVFSSKIBBKSL-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.40
Rot. Bonds3

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

1-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one (PubChem CID 16955920) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
PubChem CID16955920
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC Name1-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
SMILESO=C1CC(c2nc(-c3ccccc3)no2)CN1c1ccc(F)cc1
InChIInChI=1S/C18H14FN3O2/c19-14-6-8-15(9-7-14)22-11-13(10-16(22)23)18-20-17(21-24-18)12-4-2-1-3-5-12/h1-9,13H,10-11H2
InChIKeyYIVVFSSKIBBKSL-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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Related Compounds

1-(4-Chlorophenyl)-4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 44091571
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 1869495
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 3225915
N-methyl-N-(2-methylphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3236292
1-{3-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl}-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3239449
N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3242385
1-{3-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl}-1,2,3,4-tetrahydroquinoline
CID 3243627
1-Phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 6457595
N-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 15989736
N-(3-fluoro-4-methylphenyl)-3-[3-[1-[(3-methylphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]propanamide
CID 16030807
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylpropanamide
CID 16193185
1-(4-Chlorophenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 16955911

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one (CID 16955920) is 1-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one is O=C1CC(c2nc(-c3ccccc3)no2)CN1c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
The InChIKey is YIVVFSSKIBBKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c19-14-6-8-15(9-7-14)22-11-13(10-16(22)23)18-20-17(21-24-18)12-4-2-1-3-5-12/h1-9,13H,10-11H2.
What are the key properties of 1-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
1-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-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 1-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 16955920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).