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

C17H21N3O2S — CID 91916938

IUPAC1-cyclohexyl-4-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
SMILESCc1ccc(-c2nc(C3CC(=O)N(C4CCCCC4)C3)no2)s1
InChIInChI=1S/C17H21N3O2S/c1-11-7-8-14(23-11)17-18-16(19-22-17)12-9-15(21)20(10-12)13-5-3-2-4-6-13/h7-8,12-13H,2-6,9-10H2,1H3
InChIKeyZBIZGGSLKRKTGZ-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.76
Rot. Bonds3

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

1-cyclohexyl-4-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one (PubChem CID 91916938) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 1-cyclohexyl-4-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
PubChem CID91916938
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name1-cyclohexyl-4-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
SMILESCc1ccc(-c2nc(C3CC(=O)N(C4CCCCC4)C3)no2)s1
InChIInChI=1S/C17H21N3O2S/c1-11-7-8-14(23-11)17-18-16(19-22-17)12-9-15(21)20(10-12)13-5-3-2-4-6-13/h7-8,12-13H,2-6,9-10H2,1H3
InChIKeyZBIZGGSLKRKTGZ-UHFFFAOYSA-N
XLogP3.76
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-cyclohexyl-4-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one (CID 91916938) is 1-cyclohexyl-4-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclohexyl-4-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclohexyl-4-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one is Cc1ccc(-c2nc(C3CC(=O)N(C4CCCCC4)C3)no2)s1.
What is the InChIKey of 1-cyclohexyl-4-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The InChIKey is ZBIZGGSLKRKTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-11-7-8-14(23-11)17-18-16(19-22-17)12-9-15(21)20(10-12)13-5-3-2-4-6-13/h7-8,12-13H,2-6,9-10H2,1H3.
What are the key properties of 1-cyclohexyl-4-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
1-cyclohexyl-4-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one has a molecular weight of 331.44 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 91916938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).