5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one

C13H19N3O2 — CID 128922331

IUPAC5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
SMILESO=C1CCC(c2nc(C3CCCCCC3)no2)N1
InChIInChI=1S/C13H19N3O2/c17-11-8-7-10(14-11)13-15-12(16-18-13)9-5-3-1-2-4-6-9/h9-10H,1-8H2,(H,14,17)
InChIKeyVDRWLHMXEIFDMY-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.46
Rot. Bonds2

About 5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one

5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one (PubChem CID 128922331) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
PubChem CID128922331
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
SMILESO=C1CCC(c2nc(C3CCCCCC3)no2)N1
InChIInChI=1S/C13H19N3O2/c17-11-8-7-10(14-11)13-15-12(16-18-13)9-5-3-1-2-4-6-9/h9-10H,1-8H2,(H,14,17)
InChIKeyVDRWLHMXEIFDMY-UHFFFAOYSA-N
XLogP2.46
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
The IUPAC name of 5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one (CID 128922331) is 5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
The canonical SMILES for 5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one is O=C1CCC(c2nc(C3CCCCCC3)no2)N1.
What is the InChIKey of 5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
The InChIKey is VDRWLHMXEIFDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-11-8-7-10(14-11)13-15-12(16-18-13)9-5-3-1-2-4-6-9/h9-10H,1-8H2,(H,14,17).
What are the key properties of 5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one has a molecular weight of 249.31 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 128922331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).