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

C18H11ClF3N3O2 — CID 99741950

IUPAC(4S)-1-(3-chloro-4-fluorophenyl)-4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
SMILESO=C1C[C@H](c2noc(-c3cc(F)ccc3F)n2)CN1c1ccc(F)c(Cl)c1
InChIInChI=1S/C18H11ClF3N3O2/c19-13-7-11(2-4-15(13)22)25-8-9(5-16(25)26)17-23-18(27-24-17)12-6-10(20)1-3-14(12)21/h1-4,6-7,9H,5,8H2/t9-/m0/s1
InChIKeyOXSYNNPRYJQFNU-VIFPVBQESA-N
MW393.75 g/mol
LogP4.33
Rot. Bonds3

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

(4S)-1-(3-chloro-4-fluorophenyl)-4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one (PubChem CID 99741950) has the molecular formula C18H11ClF3N3O2 and a molecular weight of 393.75 g/mol. Its IUPAC name is (4S)-1-(3-chloro-4-fluorophenyl)-4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(3-chloro-4-fluorophenyl)-4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
PubChem CID99741950
Molecular FormulaC18H11ClF3N3O2
Molecular Weight393.75 g/mol
Exact Mass393.05
IUPAC Name(4S)-1-(3-chloro-4-fluorophenyl)-4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
SMILESO=C1C[C@H](c2noc(-c3cc(F)ccc3F)n2)CN1c1ccc(F)c(Cl)c1
InChIInChI=1S/C18H11ClF3N3O2/c19-13-7-11(2-4-15(13)22)25-8-9(5-16(25)26)17-23-18(27-24-17)12-6-10(20)1-3-14(12)21/h1-4,6-7,9H,5,8H2/t9-/m0/s1
InChIKeyOXSYNNPRYJQFNU-VIFPVBQESA-N
XLogP4.33
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.75
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-1-(3-chloro-4-fluorophenyl)-4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]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)-1-(4-chlorophenyl)-4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99741927
4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 91906768
(4R)-4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 99741895
(4S)-4-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 99742002
(4R)-1-(3-chloro-4-fluorophenyl)-4-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99744796
(4R)-4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 99742036
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-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-(3,4-dimethoxyphenyl)pyrrolidin-2-one
CID 99742013
(4S)-4-[5-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 99742091
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

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(3-chloro-4-fluorophenyl)-4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-(3-chloro-4-fluorophenyl)-4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one (CID 99741950) is (4S)-1-(3-chloro-4-fluorophenyl)-4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(3-chloro-4-fluorophenyl)-4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(3-chloro-4-fluorophenyl)-4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one is O=C1C[C@H](c2noc(-c3cc(F)ccc3F)n2)CN1c1ccc(F)c(Cl)c1.
What is the InChIKey of (4S)-1-(3-chloro-4-fluorophenyl)-4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The InChIKey is OXSYNNPRYJQFNU-VIFPVBQESA-N. The full InChI is InChI=1S/C18H11ClF3N3O2/c19-13-7-11(2-4-15(13)22)25-8-9(5-16(25)26)17-23-18(27-24-17)12-6-10(20)1-3-14(12)21/h1-4,6-7,9H,5,8H2/t9-/m0/s1.
What are the key properties of (4S)-1-(3-chloro-4-fluorophenyl)-4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
(4S)-1-(3-chloro-4-fluorophenyl)-4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one has a molecular weight of 393.75 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(3-chloro-4-fluorophenyl)-4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 99741950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).