1-ethyl-4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one

C16H21N3O2S — CID 154781066

IUPAC1-ethyl-4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
SMILESCCN1CC(c2noc(-c3ccc(CC(C)C)s3)n2)CC1=O
InChIInChI=1S/C16H21N3O2S/c1-4-19-9-11(8-14(19)20)15-17-16(21-18-15)13-6-5-12(22-13)7-10(2)3/h5-6,10-11H,4,7-9H2,1-3H3
InChIKeyUZJUDWFZIBCGHZ-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.33
Rot. Bonds5

About 1-ethyl-4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one

1-ethyl-4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one (PubChem CID 154781066) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-ethyl-4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-ethyl-4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
PubChem CID154781066
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name1-ethyl-4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
SMILESCCN1CC(c2noc(-c3ccc(CC(C)C)s3)n2)CC1=O
InChIInChI=1S/C16H21N3O2S/c1-4-19-9-11(8-14(19)20)15-17-16(21-18-15)13-6-5-12(22-13)7-10(2)3/h5-6,10-11H,4,7-9H2,1-3H3
InChIKeyUZJUDWFZIBCGHZ-UHFFFAOYSA-N
XLogP3.33
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-1-cyclohexyl-4-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99746330
3-(8-azabicyclo[3.2.1]octan-3-yl)-5-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazole
CID 154867755
(4S)-1-(cyclobutylmethyl)-4-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 164641377
N-[[4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanamine
CID 157123598
5-(5-ethylthiophen-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 54944807
(4R)-1-cyclohexyl-4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99746263
1-cyclohexyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
CID 91916927
4-[5-(2-ethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 91916842
N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-5-methylthiophene-2-carboxamide
CID 53156193
1-ethyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17002382
N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-2,4-dimethylbenzamide
CID 53156192
4-[5-(3-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]-1-cyclopropylpyrrolidin-2-one
CID 146135279

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-ethyl-4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one (CID 154781066) is 1-ethyl-4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-ethyl-4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-ethyl-4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one is CCN1CC(c2noc(-c3ccc(CC(C)C)s3)n2)CC1=O.
What is the InChIKey of 1-ethyl-4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The InChIKey is UZJUDWFZIBCGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-4-19-9-11(8-14(19)20)15-17-16(21-18-15)13-6-5-12(22-13)7-10(2)3/h5-6,10-11H,4,7-9H2,1-3H3.
What are the key properties of 1-ethyl-4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
1-ethyl-4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one has a molecular weight of 319.43 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 154781066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).