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

C18H13ClFN3O2 — CID 99741895

IUPAC(4R)-4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
SMILESO=C1C[C@@H](c2noc(-c3ccc(Cl)cc3)n2)CN1c1ccc(F)cc1
InChIInChI=1S/C18H13ClFN3O2/c19-13-3-1-11(2-4-13)18-21-17(22-25-18)12-9-16(24)23(10-12)15-7-5-14(20)6-8-15/h1-8,12H,9-10H2/t12-/m1/s1
InChIKeyAFOKHMXDGYRHGA-GFCCVEGCSA-N
MW357.77 g/mol
LogP4.05
Rot. Bonds3

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

(4R)-4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one (PubChem CID 99741895) has the molecular formula C18H13ClFN3O2 and a molecular weight of 357.77 g/mol. Its IUPAC name is (4R)-4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
PubChem CID99741895
Molecular FormulaC18H13ClFN3O2
Molecular Weight357.77 g/mol
Exact Mass357.07
IUPAC Name(4R)-4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
SMILESO=C1C[C@@H](c2noc(-c3ccc(Cl)cc3)n2)CN1c1ccc(F)cc1
InChIInChI=1S/C18H13ClFN3O2/c19-13-3-1-11(2-4-13)18-21-17(22-25-18)12-9-16(24)23(10-12)15-7-5-14(20)6-8-15/h1-8,12H,9-10H2/t12-/m1/s1
InChIKeyAFOKHMXDGYRHGA-GFCCVEGCSA-N
XLogP4.05
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.77
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 99742036
(4R)-1-(4-chlorophenyl)-4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99741927
4-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 91906701
(4R)-4-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 99741981
(4S)-4-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 99742002
(4S)-1-(3-chloro-4-fluorophenyl)-4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99741950
4-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 91916847
(4S)-1-(4-chlorophenyl)-4-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99741906
(4R)-1-(4-methylphenyl)-4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
CID 94199968
4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 91906768
(4R)-4-[5-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 94200000
(4R)-1-(4-methylphenyl)-4-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
CID 99741952

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one (CID 99741895) is (4R)-4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one is O=C1C[C@@H](c2noc(-c3ccc(Cl)cc3)n2)CN1c1ccc(F)cc1.
What is the InChIKey of (4R)-4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one?
The InChIKey is AFOKHMXDGYRHGA-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H13ClFN3O2/c19-13-3-1-11(2-4-13)18-21-17(22-25-18)12-9-16(24)23(10-12)15-7-5-14(20)6-8-15/h1-8,12H,9-10H2/t12-/m1/s1.
What are the key properties of (4R)-4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one?
(4R)-4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one has a molecular weight of 357.77 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 99741895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).