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

C13H15ClFN3O — CID 22248505

IUPAC3-(3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
SMILESCl.Fc1cccc(-c2noc(C3CCNCC3)n2)c1
InChIInChI=1S/C13H14FN3O.ClH/c14-11-3-1-2-10(8-11)12-16-13(18-17-12)9-4-6-15-7-5-9;/h1-3,8-9,15H,4-7H2;1H
InChIKeyJKNKVYBJWUKHKF-UHFFFAOYSA-N
MW283.73 g/mol
LogP2.76
Rot. Bonds2

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

3-(3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride (PubChem CID 22248505) has the molecular formula C13H15ClFN3O and a molecular weight of 283.73 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
PubChem CID22248505
Molecular FormulaC13H15ClFN3O
Molecular Weight283.73 g/mol
Exact Mass283.09
IUPAC Name3-(3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
SMILESCl.Fc1cccc(-c2noc(C3CCNCC3)n2)c1
InChIInChI=1S/C13H14FN3O.ClH/c14-11-3-1-2-10(8-11)12-16-13(18-17-12)9-4-6-15-7-5-9;/h1-3,8-9,15H,4-7H2;1H
InChIKeyJKNKVYBJWUKHKF-UHFFFAOYSA-N
XLogP2.76
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.73
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride (CID 22248505) is 3-(3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride is Cl.Fc1cccc(-c2noc(C3CCNCC3)n2)c1.
What is the InChIKey of 3-(3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride?
The InChIKey is JKNKVYBJWUKHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O.ClH/c14-11-3-1-2-10(8-11)12-16-13(18-17-12)9-4-6-15-7-5-9;/h1-3,8-9,15H,4-7H2;1H.
What are the key properties of 3-(3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride?
3-(3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride has a molecular weight of 283.73 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 22248505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).