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

C12H19N3O2 — CID 97052951

IUPAC3-(oxan-4-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESC1CNC[C@@H](c2nc(C3CCOCC3)no2)C1
InChIInChI=1S/C12H19N3O2/c1-2-10(8-13-5-1)12-14-11(15-17-12)9-3-6-16-7-4-9/h9-10,13H,1-8H2/t10-/m0/s1
InChIKeyPCDLGYHEJNUIQS-JTQLQIEISA-N
MW237.30 g/mol
LogP1.43
Rot. Bonds2

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

3-(oxan-4-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 97052951) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(oxan-4-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(oxan-4-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID97052951
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-(oxan-4-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESC1CNC[C@@H](c2nc(C3CCOCC3)no2)C1
InChIInChI=1S/C12H19N3O2/c1-2-10(8-13-5-1)12-14-11(15-17-12)9-3-6-16-7-4-9/h9-10,13H,1-8H2/t10-/m0/s1
InChIKeyPCDLGYHEJNUIQS-JTQLQIEISA-N
XLogP1.43
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclobutyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96818005
3-cyclobutyl-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96818006
3-cyclopentyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 93357413
3,5-di(piperidin-3-yl)-1,2,4-oxadiazole
CID 115077690
5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024752
5-cyclopropyl-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 94939518
5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 68965695
3-(4,4-dimethylcyclohexyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911880
5-[(3S)-piperidin-3-yl]-3-(thiolan-2-yl)-1,2,4-oxadiazole
CID 104911980
3-(3-methylcyclopentyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911889
3-(2,3-dihydro-1H-inden-2-yl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911895
5-(3-methyloxan-4-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 114241654

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(oxan-4-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole (CID 97052951) is 3-(oxan-4-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(oxan-4-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(oxan-4-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole is C1CNC[C@@H](c2nc(C3CCOCC3)no2)C1.
What is the InChIKey of 3-(oxan-4-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is PCDLGYHEJNUIQS-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-10(8-13-5-1)12-14-11(15-17-12)9-3-6-16-7-4-9/h9-10,13H,1-8H2/t10-/m0/s1.
What are the key properties of 3-(oxan-4-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
3-(oxan-4-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 237.30 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 97052951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).