2-[(2R)-oxolan-2-yl]-5-piperidin-2-yl-1,3,4-oxadiazole;hydrochloride

C11H18ClN3O2 — CID 119031515

IUPAC2-[(2R)-oxolan-2-yl]-5-piperidin-2-yl-1,3,4-oxadiazole;hydrochloride
SMILESC1CCC(c2nnc([C@H]3CCCO3)o2)NC1.Cl
InChIInChI=1S/C11H17N3O2.ClH/c1-2-6-12-8(4-1)10-13-14-11(16-10)9-5-3-7-15-9;/h8-9,12H,1-7H2;1H/t8?,9-;/m1./s1
InChIKeyKLMLIZCGYJZTDZ-ICLMXVQUSA-N
MW259.74 g/mol
LogP2.16
Rot. Bonds2

About 2-[(2R)-oxolan-2-yl]-5-piperidin-2-yl-1,3,4-oxadiazole;hydrochloride

2-[(2R)-oxolan-2-yl]-5-piperidin-2-yl-1,3,4-oxadiazole;hydrochloride (PubChem CID 119031515) has the molecular formula C11H18ClN3O2 and a molecular weight of 259.74 g/mol. Its IUPAC name is 2-[(2R)-oxolan-2-yl]-5-piperidin-2-yl-1,3,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name2-[(2R)-oxolan-2-yl]-5-piperidin-2-yl-1,3,4-oxadiazole;hydrochloride
PubChem CID119031515
Molecular FormulaC11H18ClN3O2
Molecular Weight259.74 g/mol
Exact Mass259.11
IUPAC Name2-[(2R)-oxolan-2-yl]-5-piperidin-2-yl-1,3,4-oxadiazole;hydrochloride
SMILESC1CCC(c2nnc([C@H]3CCCO3)o2)NC1.Cl
InChIInChI=1S/C11H17N3O2.ClH/c1-2-6-12-8(4-1)10-13-14-11(16-10)9-5-3-7-15-9;/h8-9,12H,1-7H2;1H/t8?,9-;/m1./s1
InChIKeyKLMLIZCGYJZTDZ-ICLMXVQUSA-N
XLogP2.16
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-oxolan-2-yl]-5-piperidin-2-yl-1,3,4-oxadiazole;hydrochloride?
The IUPAC name of 2-[(2R)-oxolan-2-yl]-5-piperidin-2-yl-1,3,4-oxadiazole;hydrochloride (CID 119031515) is 2-[(2R)-oxolan-2-yl]-5-piperidin-2-yl-1,3,4-oxadiazole;hydrochloride.
What is the SMILES notation for 2-[(2R)-oxolan-2-yl]-5-piperidin-2-yl-1,3,4-oxadiazole;hydrochloride?
The canonical SMILES for 2-[(2R)-oxolan-2-yl]-5-piperidin-2-yl-1,3,4-oxadiazole;hydrochloride is C1CCC(c2nnc([C@H]3CCCO3)o2)NC1.Cl.
What is the InChIKey of 2-[(2R)-oxolan-2-yl]-5-piperidin-2-yl-1,3,4-oxadiazole;hydrochloride?
The InChIKey is KLMLIZCGYJZTDZ-ICLMXVQUSA-N. The full InChI is InChI=1S/C11H17N3O2.ClH/c1-2-6-12-8(4-1)10-13-14-11(16-10)9-5-3-7-15-9;/h8-9,12H,1-7H2;1H/t8?,9-;/m1./s1.
What are the key properties of 2-[(2R)-oxolan-2-yl]-5-piperidin-2-yl-1,3,4-oxadiazole;hydrochloride?
2-[(2R)-oxolan-2-yl]-5-piperidin-2-yl-1,3,4-oxadiazole;hydrochloride has a molecular weight of 259.74 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-oxolan-2-yl]-5-piperidin-2-yl-1,3,4-oxadiazole;hydrochloride is sourced from PubChem (CID 119031515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).