(4R)-4-[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one

C24H20N4O2S — CID 95116397

IUPAC(4R)-4-[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
SMILESO=C1C[C@@H](c2nc(-c3ccc(-c4csc(C5CC5)n4)cc3)no2)CN1c1ccccc1
InChIInChI=1S/C24H20N4O2S/c29-21-12-18(13-28(21)19-4-2-1-3-5-19)23-26-22(27-30-23)16-8-6-15(7-9-16)20-14-31-24(25-20)17-10-11-17/h1-9,14,17-18H,10-13H2/t18-/m1/s1
InChIKeyQJZMQNDZULARGQ-GOSISDBHSA-N
MW428.52 g/mol
LogP5.26
Rot. Bonds5

About (4R)-4-[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one

(4R)-4-[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one (PubChem CID 95116397) has the molecular formula C24H20N4O2S and a molecular weight of 428.52 g/mol. Its IUPAC name is (4R)-4-[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
PubChem CID95116397
Molecular FormulaC24H20N4O2S
Molecular Weight428.52 g/mol
Exact Mass428.13
IUPAC Name(4R)-4-[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
SMILESO=C1C[C@@H](c2nc(-c3ccc(-c4csc(C5CC5)n4)cc3)no2)CN1c1ccccc1
InChIInChI=1S/C24H20N4O2S/c29-21-12-18(13-28(21)19-4-2-1-3-5-19)23-26-22(27-30-23)16-8-6-15(7-9-16)20-14-31-24(25-20)17-10-11-17/h1-9,14,17-18H,10-13H2/t18-/m1/s1
InChIKeyQJZMQNDZULARGQ-GOSISDBHSA-N
XLogP5.26
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.52
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4S)-1-(3-chlorophenyl)-4-[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 95086857
4-[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 53206038
(4R)-1-(3-chlorophenyl)-4-[3-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 95116407
(4R)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
CID 41014813
(4S)-4-[3-[4-(4-chlorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
CID 92880397
4-[3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 46384857
4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
CID 16955902
4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
CID 16955900
1-(4-methoxyphenyl)-4-[3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 53126969
(4R)-1-(3-chlorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 93492742
(4R)-1-(4-fluorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 41014908
(4R)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 42586048

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one?
The IUPAC name of (4R)-4-[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one (CID 95116397) is (4R)-4-[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one is O=C1C[C@@H](c2nc(-c3ccc(-c4csc(C5CC5)n4)cc3)no2)CN1c1ccccc1.
What is the InChIKey of (4R)-4-[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one?
The InChIKey is QJZMQNDZULARGQ-GOSISDBHSA-N. The full InChI is InChI=1S/C24H20N4O2S/c29-21-12-18(13-28(21)19-4-2-1-3-5-19)23-26-22(27-30-23)16-8-6-15(7-9-16)20-14-31-24(25-20)17-10-11-17/h1-9,14,17-18H,10-13H2/t18-/m1/s1.
What are the key properties of (4R)-4-[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one?
(4R)-4-[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one has a molecular weight of 428.52 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 95116397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).