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

C16H21N3O — CID 63085351

IUPAC3-(2-phenylpropan-2-yl)-5-piperidin-2-yl-1,2,4-oxadiazole
SMILESCC(C)(c1ccccc1)c1noc(C2CCCCN2)n1
InChIInChI=1S/C16H21N3O/c1-16(2,12-8-4-3-5-9-12)15-18-14(20-19-15)13-10-6-7-11-17-13/h3-5,8-9,13,17H,6-7,10-11H2,1-2H3
InChIKeyAZBAVNSZTDHDFC-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.21
Rot. Bonds3

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

3-(2-phenylpropan-2-yl)-5-piperidin-2-yl-1,2,4-oxadiazole (PubChem CID 63085351) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-(2-phenylpropan-2-yl)-5-piperidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-phenylpropan-2-yl)-5-piperidin-2-yl-1,2,4-oxadiazole
PubChem CID63085351
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-(2-phenylpropan-2-yl)-5-piperidin-2-yl-1,2,4-oxadiazole
SMILESCC(C)(c1ccccc1)c1noc(C2CCCCN2)n1
InChIInChI=1S/C16H21N3O/c1-16(2,12-8-4-3-5-9-12)15-18-14(20-19-15)13-10-6-7-11-17-13/h3-5,8-9,13,17H,6-7,10-11H2,1-2H3
InChIKeyAZBAVNSZTDHDFC-UHFFFAOYSA-N
XLogP3.21
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-fluorophenyl)propan-2-yl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 64759567
5-(2-phenylpropan-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317311
3-(2-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43102485
5-(azepan-2-yl)-3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazole
CID 116740654
3-(2-phenoxyethyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43105243
3-tert-butyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 69256891
3-(2,2-dimethylpropyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900576
3-(1-benzofuran-2-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 103832711
5-(azepan-2-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 64560736
3-(4-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride
CID 75526655
3-naphthalen-1-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 103832593
3-(2-ethoxybutan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 116740578

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylpropan-2-yl)-5-piperidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(2-phenylpropan-2-yl)-5-piperidin-2-yl-1,2,4-oxadiazole (CID 63085351) is 3-(2-phenylpropan-2-yl)-5-piperidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-phenylpropan-2-yl)-5-piperidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-phenylpropan-2-yl)-5-piperidin-2-yl-1,2,4-oxadiazole is CC(C)(c1ccccc1)c1noc(C2CCCCN2)n1.
What is the InChIKey of 3-(2-phenylpropan-2-yl)-5-piperidin-2-yl-1,2,4-oxadiazole?
The InChIKey is AZBAVNSZTDHDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-16(2,12-8-4-3-5-9-12)15-18-14(20-19-15)13-10-6-7-11-17-13/h3-5,8-9,13,17H,6-7,10-11H2,1-2H3.
What are the key properties of 3-(2-phenylpropan-2-yl)-5-piperidin-2-yl-1,2,4-oxadiazole?
3-(2-phenylpropan-2-yl)-5-piperidin-2-yl-1,2,4-oxadiazole has a molecular weight of 271.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylpropan-2-yl)-5-piperidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 63085351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).