4-[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one

C18H14ClN5O2S — CID 154864298

IUPAC4-[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(c3nc(-c4c(Cl)nc5sccn45)no3)CC2=O)cc1
InChIInChI=1S/C18H14ClN5O2S/c1-10-2-4-12(5-3-10)24-9-11(8-13(24)25)17-21-16(22-26-17)14-15(19)20-18-23(14)6-7-27-18/h2-7,11H,8-9H2,1H3
InChIKeyVREMULPCUPPTSQ-UHFFFAOYSA-N
MW399.86 g/mol
LogP3.93
Rot. Bonds3

About 4-[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one

4-[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one (PubChem CID 154864298) has the molecular formula C18H14ClN5O2S and a molecular weight of 399.86 g/mol. Its IUPAC name is 4-[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
PubChem CID154864298
Molecular FormulaC18H14ClN5O2S
Molecular Weight399.86 g/mol
Exact Mass399.06
IUPAC Name4-[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(c3nc(-c4c(Cl)nc5sccn45)no3)CC2=O)cc1
InChIInChI=1S/C18H14ClN5O2S/c1-10-2-4-12(5-3-10)24-9-11(8-13(24)25)17-21-16(22-26-17)14-15(19)20-18-23(14)6-7-27-18/h2-7,11H,8-9H2,1H3
InChIKeyVREMULPCUPPTSQ-UHFFFAOYSA-N
XLogP3.93
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.86
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4R)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 42586048
(4R)-4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 42586046
(4R)-1-(4-fluorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 41014908
(4R)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
CID 41014813
(4R)-1-(3-chlorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 93492742
4-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 42891589
(4R)-1-(4-chlorophenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 51896227
(4S)-1-(4-chlorophenyl)-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 93492759
N-[4-[5-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide
CID 92895653
(4S)-1-(1,3-benzodioxol-5-yl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 42586113
(4R)-1-(4-methoxyphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 41015060
1,3-dimethyl-6-[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one
CID 95067702

Frequently Asked Questions

What is the IUPAC name of 4-[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one (CID 154864298) is 4-[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one is Cc1ccc(N2CC(c3nc(-c4c(Cl)nc5sccn45)no3)CC2=O)cc1.
What is the InChIKey of 4-[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one?
The InChIKey is VREMULPCUPPTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O2S/c1-10-2-4-12(5-3-10)24-9-11(8-13(24)25)17-21-16(22-26-17)14-15(19)20-18-23(14)6-7-27-18/h2-7,11H,8-9H2,1H3.
What are the key properties of 4-[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one?
4-[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one has a molecular weight of 399.86 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 154864298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).