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

C7H11N3O — CID 51921938

IUPAC3-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
SMILESc1nc([C@@H]2CCCCN2)no1
InChIInChI=1S/C7H11N3O/c1-2-4-8-6(3-1)7-9-5-11-10-7/h5-6,8H,1-4H2/t6-/m0/s1
InChIKeyKQAUEFLTGOYXCD-LURJTMIESA-N
MW153.19 g/mol
LogP0.88
Rot. Bonds1

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

3-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole (PubChem CID 51921938) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 3-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
PubChem CID51921938
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name3-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
SMILESc1nc([C@@H]2CCCCN2)no1
InChIInChI=1S/C7H11N3O/c1-2-4-8-6(3-1)7-9-5-11-10-7/h5-6,8H,1-4H2/t6-/m0/s1
InChIKeyKQAUEFLTGOYXCD-LURJTMIESA-N
XLogP0.88
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole (CID 51921938) is 3-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole is c1nc([C@@H]2CCCCN2)no1.
What is the InChIKey of 3-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is KQAUEFLTGOYXCD-LURJTMIESA-N. The full InChI is InChI=1S/C7H11N3O/c1-2-4-8-6(3-1)7-9-5-11-10-7/h5-6,8H,1-4H2/t6-/m0/s1.
What are the key properties of 3-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole?
3-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 153.19 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 51921938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).