3-(2-phenylethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole

C15H19N3O — CID 104911754

IUPAC3-(2-phenylethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESc1ccc(CCc2noc([C@H]3CCCNC3)n2)cc1
InChIInChI=1S/C15H19N3O/c1-2-5-12(6-3-1)8-9-14-17-15(19-18-14)13-7-4-10-16-11-13/h1-3,5-6,13,16H,4,7-11H2/t13-/m0/s1
InChIKeyDWLOFTMDOUOJSL-ZDUSSCGKSA-N
MW257.34 g/mol
LogP2.32
Rot. Bonds4

About 3-(2-phenylethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole

3-(2-phenylethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 104911754) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-(2-phenylethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-phenylethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID104911754
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-(2-phenylethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESc1ccc(CCc2noc([C@H]3CCCNC3)n2)cc1
InChIInChI=1S/C15H19N3O/c1-2-5-12(6-3-1)8-9-14-17-15(19-18-14)13-7-4-10-16-11-13/h1-3,5-6,13,16H,4,7-11H2/t13-/m0/s1
InChIKeyDWLOFTMDOUOJSL-ZDUSSCGKSA-N
XLogP2.32
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(phenoxymethyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 62717200
3-[(3-methylphenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911769
3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole
CID 19886311
(2R)-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120834209
5-[(3R)-piperidin-3-yl]-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 104911956
3-[(2-fluorophenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911758
3-[(3,5-dimethylphenyl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole
CID 62594260
3-(2,2-dimethylpropyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96690532
N-methyl-1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 115077717
3-(2-ethoxyethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 106814721
N,N-diethyl-2-[5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 28526049
4-benzyl-2-piperidin-3-yl-1,3-oxazole
CID 115044768

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-phenylethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole (CID 104911754) is 3-(2-phenylethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-phenylethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-phenylethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole is c1ccc(CCc2noc([C@H]3CCCNC3)n2)cc1.
What is the InChIKey of 3-(2-phenylethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is DWLOFTMDOUOJSL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-5-12(6-3-1)8-9-14-17-15(19-18-14)13-7-4-10-16-11-13/h1-3,5-6,13,16H,4,7-11H2/t13-/m0/s1.
What are the key properties of 3-(2-phenylethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
3-(2-phenylethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 257.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 104911754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).