5-(difluoromethyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride

C8H12ClF2N3O — CID 86812269

IUPAC5-(difluoromethyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
SMILESCl.FC(F)c1nc(C2CCNCC2)no1
InChIInChI=1S/C8H11F2N3O.ClH/c9-6(10)8-12-7(13-14-8)5-1-3-11-4-2-5;/h5-6,11H,1-4H2;1H
InChIKeyVOXRLGKMWIVDMS-UHFFFAOYSA-N
MW239.65 g/mol
LogP1.90
Rot. Bonds2

About 5-(difluoromethyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride

5-(difluoromethyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride (PubChem CID 86812269) has the molecular formula C8H12ClF2N3O and a molecular weight of 239.65 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-(difluoromethyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
PubChem CID86812269
Molecular FormulaC8H12ClF2N3O
Molecular Weight239.65 g/mol
Exact Mass239.06
IUPAC Name5-(difluoromethyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
SMILESCl.FC(F)c1nc(C2CCNCC2)no1
InChIInChI=1S/C8H11F2N3O.ClH/c9-6(10)8-12-7(13-14-8)5-1-3-11-4-2-5;/h5-6,11H,1-4H2;1H
InChIKeyVOXRLGKMWIVDMS-UHFFFAOYSA-N
XLogP1.90
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.65
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-(difluoromethyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride (CID 86812269) is 5-(difluoromethyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-(difluoromethyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-(difluoromethyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride is Cl.FC(F)c1nc(C2CCNCC2)no1.
What is the InChIKey of 5-(difluoromethyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride?
The InChIKey is VOXRLGKMWIVDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O.ClH/c9-6(10)8-12-7(13-14-8)5-1-3-11-4-2-5;/h5-6,11H,1-4H2;1H.
What are the key properties of 5-(difluoromethyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride?
5-(difluoromethyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride has a molecular weight of 239.65 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 86812269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).