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

C19H19N3O2S — CID 91906777

IUPAC1-(4-ethylphenyl)-4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
SMILESCCc1ccc(N2CC(c3noc(-c4sccc4C)n3)CC2=O)cc1
InChIInChI=1S/C19H19N3O2S/c1-3-13-4-6-15(7-5-13)22-11-14(10-16(22)23)18-20-19(24-21-18)17-12(2)8-9-25-17/h4-9,14H,3,10-11H2,1-2H3
InChIKeyYTMAEWNHKZPYRN-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.19
Rot. Bonds4

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

1-(4-ethylphenyl)-4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one (PubChem CID 91906777) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-ethylphenyl)-4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
PubChem CID91906777
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name1-(4-ethylphenyl)-4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
SMILESCCc1ccc(N2CC(c3noc(-c4sccc4C)n3)CC2=O)cc1
InChIInChI=1S/C19H19N3O2S/c1-3-13-4-6-15(7-5-13)22-11-14(10-16(22)23)18-20-19(24-21-18)17-12(2)8-9-25-17/h4-9,14H,3,10-11H2,1-2H3
InChIKeyYTMAEWNHKZPYRN-UHFFFAOYSA-N
XLogP4.19
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-(4-ethylphenyl)-4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one (CID 91906777) is 1-(4-ethylphenyl)-4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-ethylphenyl)-4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(4-ethylphenyl)-4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one is CCc1ccc(N2CC(c3noc(-c4sccc4C)n3)CC2=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The InChIKey is YTMAEWNHKZPYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-3-13-4-6-15(7-5-13)22-11-14(10-16(22)23)18-20-19(24-21-18)17-12(2)8-9-25-17/h4-9,14H,3,10-11H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
1-(4-ethylphenyl)-4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one has a molecular weight of 353.45 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 91906777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).