5-(2-phenylpropan-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole

C15H19N3O — CID 63317311

IUPAC5-(2-phenylpropan-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESCC(C)(c1ccccc1)c1nc(C2CCCN2)no1
InChIInChI=1S/C15H19N3O/c1-15(2,11-7-4-3-5-8-11)14-17-13(18-19-14)12-9-6-10-16-12/h3-5,7-8,12,16H,6,9-10H2,1-2H3
InChIKeyGABOOFCGPHSKMH-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.82
Rot. Bonds3

About 5-(2-phenylpropan-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole

5-(2-phenylpropan-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole (PubChem CID 63317311) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-(2-phenylpropan-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-phenylpropan-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
PubChem CID63317311
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-(2-phenylpropan-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESCC(C)(c1ccccc1)c1nc(C2CCCN2)no1
InChIInChI=1S/C15H19N3O/c1-15(2,11-7-4-3-5-8-11)14-17-13(18-19-14)12-9-6-10-16-12/h3-5,7-8,12,16H,6,9-10H2,1-2H3
InChIKeyGABOOFCGPHSKMH-UHFFFAOYSA-N
XLogP2.82
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-tert-butyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317586
3-(2-phenylpropan-2-yl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 63085351
5-(2-methylbutan-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 62677702
5-benzyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317448
5-(2-phenylethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317905
5-(3-phenylpropyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317452
5-benzyl-3-piperidin-2-yl-1,2,4-oxadiazole
CID 23000756
5-(2,6-dichlorophenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 55204134
5-(2,6-difluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916016
5-(2-phenoxyethyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916955
5-(2,3-dimethylphenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317314
5-(1-benzofuran-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317491

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylpropan-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-phenylpropan-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole (CID 63317311) is 5-(2-phenylpropan-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-phenylpropan-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-phenylpropan-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole is CC(C)(c1ccccc1)c1nc(C2CCCN2)no1.
What is the InChIKey of 5-(2-phenylpropan-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The InChIKey is GABOOFCGPHSKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-15(2,11-7-4-3-5-8-11)14-17-13(18-19-14)12-9-6-10-16-12/h3-5,7-8,12,16H,6,9-10H2,1-2H3.
What are the key properties of 5-(2-phenylpropan-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
5-(2-phenylpropan-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole has a molecular weight of 257.34 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylpropan-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 63317311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).