1-(4-methylphenyl)-4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one

C18H17N3O2S — CID 91906735

IUPAC1-(4-methylphenyl)-4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
SMILESCc1ccc(N2CC(c3noc(-c4sccc4C)n3)CC2=O)cc1
InChIInChI=1S/C18H17N3O2S/c1-11-3-5-14(6-4-11)21-10-13(9-15(21)22)17-19-18(23-20-17)16-12(2)7-8-24-16/h3-8,13H,9-10H2,1-2H3
InChIKeyBOYWTZMNHFHWQD-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.94
Rot. Bonds3

About 1-(4-methylphenyl)-4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one

1-(4-methylphenyl)-4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one (PubChem CID 91906735) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
PubChem CID91906735
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name1-(4-methylphenyl)-4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
SMILESCc1ccc(N2CC(c3noc(-c4sccc4C)n3)CC2=O)cc1
InChIInChI=1S/C18H17N3O2S/c1-11-3-5-14(6-4-11)21-10-13(9-15(21)22)17-19-18(23-20-17)16-12(2)7-8-24-16/h3-8,13H,9-10H2,1-2H3
InChIKeyBOYWTZMNHFHWQD-UHFFFAOYSA-N
XLogP3.94
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-1-(4-methylphenyl)-4-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
CID 99741952
(4R)-1-cyclohexyl-4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99746263
(4R)-4-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 98777829
(4R)-4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 99742036
(4R)-1-(4-methylphenyl)-4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
CID 94199968
4-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 91916847
(4R)-4-[5-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 94200000
4-[5-(2-ethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 91916842
(4S)-4-[5-(4-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 99741958
(4R)-4-[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 94199986
(4R)-4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 99742247
(4S)-4-[5-(2,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-ethylphenyl)pyrrolidin-2-one
CID 99742157

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-(4-methylphenyl)-4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one (CID 91906735) is 1-(4-methylphenyl)-4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-methylphenyl)-4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(4-methylphenyl)-4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one is Cc1ccc(N2CC(c3noc(-c4sccc4C)n3)CC2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The InChIKey is BOYWTZMNHFHWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-11-3-5-14(6-4-11)21-10-13(9-15(21)22)17-19-18(23-20-17)16-12(2)7-8-24-16/h3-8,13H,9-10H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
1-(4-methylphenyl)-4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one has a molecular weight of 339.42 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 91906735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).