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

C21H19ClFN3O2 — CID 99744796

IUPAC(4R)-1-(3-chloro-4-fluorophenyl)-4-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
SMILESO=C1C[C@@H](c2noc(CCCc3ccccc3)n2)CN1c1ccc(F)c(Cl)c1
InChIInChI=1S/C21H19ClFN3O2/c22-17-12-16(9-10-18(17)23)26-13-15(11-20(26)27)21-24-19(28-25-21)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-10,12,15H,4,7-8,11,13H2/t15-/m1/s1
InChIKeySNWGHRWAIXKANK-OAHLLOKOSA-N
MW399.85 g/mol
LogP4.56
Rot. Bonds6

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

(4R)-1-(3-chloro-4-fluorophenyl)-4-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one (PubChem CID 99744796) has the molecular formula C21H19ClFN3O2 and a molecular weight of 399.85 g/mol. Its IUPAC name is (4R)-1-(3-chloro-4-fluorophenyl)-4-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(3-chloro-4-fluorophenyl)-4-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
PubChem CID99744796
Molecular FormulaC21H19ClFN3O2
Molecular Weight399.85 g/mol
Exact Mass399.11
IUPAC Name(4R)-1-(3-chloro-4-fluorophenyl)-4-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
SMILESO=C1C[C@@H](c2noc(CCCc3ccccc3)n2)CN1c1ccc(F)c(Cl)c1
InChIInChI=1S/C21H19ClFN3O2/c22-17-12-16(9-10-18(17)23)26-13-15(11-20(26)27)21-24-19(28-25-21)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-10,12,15H,4,7-8,11,13H2/t15-/m1/s1
InChIKeySNWGHRWAIXKANK-OAHLLOKOSA-N
XLogP4.56
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.85
LogP ≤ 54.56
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
1-(3-chloro-4-fluorophenyl)-5-oxo-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 17225567
(4R)-4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 99741895
(4R)-4-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-1-phenylpyrrolidin-2-one
CID 100691836
(4R)-1-(4-chlorophenyl)-4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99741927
(4S)-1-phenyl-4-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 125137903
(3S)-1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 776720
(4R)-4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 99742036
1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50873905
1-[4-[(3-fluorophenyl)methoxy]phenyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
CID 67011889
(4S)-4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-(3,4-dimethoxyphenyl)pyrrolidin-2-one
CID 99742013
1-[(2-methoxyphenyl)methyl]-4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 110876328

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(3-chloro-4-fluorophenyl)-4-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(3-chloro-4-fluorophenyl)-4-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one (CID 99744796) is (4R)-1-(3-chloro-4-fluorophenyl)-4-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(3-chloro-4-fluorophenyl)-4-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(3-chloro-4-fluorophenyl)-4-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one is O=C1C[C@@H](c2noc(CCCc3ccccc3)n2)CN1c1ccc(F)c(Cl)c1.
What is the InChIKey of (4R)-1-(3-chloro-4-fluorophenyl)-4-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The InChIKey is SNWGHRWAIXKANK-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H19ClFN3O2/c22-17-12-16(9-10-18(17)23)26-13-15(11-20(26)27)21-24-19(28-25-21)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-10,12,15H,4,7-8,11,13H2/t15-/m1/s1.
What are the key properties of (4R)-1-(3-chloro-4-fluorophenyl)-4-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
(4R)-1-(3-chloro-4-fluorophenyl)-4-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one has a molecular weight of 399.85 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(3-chloro-4-fluorophenyl)-4-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 99744796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).