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

C18H12ClF2N3O2 — CID 99741927

IUPAC(4R)-1-(4-chlorophenyl)-4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
SMILESO=C1C[C@@H](c2noc(-c3cc(F)ccc3F)n2)CN1c1ccc(Cl)cc1
InChIInChI=1S/C18H12ClF2N3O2/c19-11-1-4-13(5-2-11)24-9-10(7-16(24)25)17-22-18(26-23-17)14-8-12(20)3-6-15(14)21/h1-6,8,10H,7,9H2/t10-/m1/s1
InChIKeyISZXUIBUKUPXDI-SNVBAGLBSA-N
MW375.76 g/mol
LogP4.19
Rot. Bonds3

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

(4R)-1-(4-chlorophenyl)-4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one (PubChem CID 99741927) has the molecular formula C18H12ClF2N3O2 and a molecular weight of 375.76 g/mol. Its IUPAC name is (4R)-1-(4-chlorophenyl)-4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(4-chlorophenyl)-4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
PubChem CID99741927
Molecular FormulaC18H12ClF2N3O2
Molecular Weight375.76 g/mol
Exact Mass375.06
IUPAC Name(4R)-1-(4-chlorophenyl)-4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
SMILESO=C1C[C@@H](c2noc(-c3cc(F)ccc3F)n2)CN1c1ccc(Cl)cc1
InChIInChI=1S/C18H12ClF2N3O2/c19-11-1-4-13(5-2-11)24-9-10(7-16(24)25)17-22-18(26-23-17)14-8-12(20)3-6-15(14)21/h1-6,8,10H,7,9H2/t10-/m1/s1
InChIKeyISZXUIBUKUPXDI-SNVBAGLBSA-N
XLogP4.19
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.76
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-1-(3-chloro-4-fluorophenyl)-4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99741950
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)-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-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 99742091
(4S)-1-(4-chlorophenyl)-4-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99741906
4-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 91916847
(4S)-4-[5-(2,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-ethylphenyl)pyrrolidin-2-one
CID 99742157
(4S)-4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-(3,4-dimethoxyphenyl)pyrrolidin-2-one
CID 99742013

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(4-chlorophenyl)-4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(4-chlorophenyl)-4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one (CID 99741927) is (4R)-1-(4-chlorophenyl)-4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(4-chlorophenyl)-4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(4-chlorophenyl)-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(Cl)cc1.
What is the InChIKey of (4R)-1-(4-chlorophenyl)-4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The InChIKey is ISZXUIBUKUPXDI-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H12ClF2N3O2/c19-11-1-4-13(5-2-11)24-9-10(7-16(24)25)17-22-18(26-23-17)14-8-12(20)3-6-15(14)21/h1-6,8,10H,7,9H2/t10-/m1/s1.
What are the key properties of (4R)-1-(4-chlorophenyl)-4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
(4R)-1-(4-chlorophenyl)-4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one has a molecular weight of 375.76 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(4-chlorophenyl)-4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 99741927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).