3-phenyl-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride

C13H16ClN3O — CID 47003378

IUPAC3-phenyl-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride
SMILESCl.c1ccc(-c2noc(C3CCCCN3)n2)cc1
InChIInChI=1S/C13H15N3O.ClH/c1-2-6-10(7-3-1)12-15-13(17-16-12)11-8-4-5-9-14-11;/h1-3,6-7,11,14H,4-5,8-9H2;1H
InChIKeyROFYGEGVRCJVBU-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.97
Rot. Bonds2

About 3-phenyl-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride

3-phenyl-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride (PubChem CID 47003378) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 3-phenyl-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-phenyl-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride
PubChem CID47003378
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name3-phenyl-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride
SMILESCl.c1ccc(-c2noc(C3CCCCN3)n2)cc1
InChIInChI=1S/C13H15N3O.ClH/c1-2-6-10(7-3-1)12-15-13(17-16-12)11-8-4-5-9-14-11;/h1-3,6-7,11,14H,4-5,8-9H2;1H
InChIKeyROFYGEGVRCJVBU-UHFFFAOYSA-N
XLogP2.97
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-phenyl-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride (CID 47003378) is 3-phenyl-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-phenyl-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-phenyl-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride is Cl.c1ccc(-c2noc(C3CCCCN3)n2)cc1.
What is the InChIKey of 3-phenyl-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride?
The InChIKey is ROFYGEGVRCJVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O.ClH/c1-2-6-10(7-3-1)12-15-13(17-16-12)11-8-4-5-9-14-11;/h1-3,6-7,11,14H,4-5,8-9H2;1H.
What are the key properties of 3-phenyl-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride?
3-phenyl-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride has a molecular weight of 265.74 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 47003378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).