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

C14H17ClFN3OS — CID 52985927

IUPAC2-[(2-fluorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole;hydrochloride
SMILESCl.Fc1ccccc1CSc1nnc(C2CCNCC2)o1
InChIInChI=1S/C14H16FN3OS.ClH/c15-12-4-2-1-3-11(12)9-20-14-18-17-13(19-14)10-5-7-16-8-6-10;/h1-4,10,16H,5-9H2;1H
InChIKeyRMEIPGLLIFIUFY-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.39
Rot. Bonds4

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

2-[(2-fluorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole;hydrochloride (PubChem CID 52985927) has the molecular formula C14H17ClFN3OS and a molecular weight of 329.83 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole;hydrochloride
PubChem CID52985927
Molecular FormulaC14H17ClFN3OS
Molecular Weight329.83 g/mol
Exact Mass329.08
IUPAC Name2-[(2-fluorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole;hydrochloride
SMILESCl.Fc1ccccc1CSc1nnc(C2CCNCC2)o1
InChIInChI=1S/C14H16FN3OS.ClH/c15-12-4-2-1-3-11(12)9-20-14-18-17-13(19-14)10-5-7-16-8-6-10;/h1-4,10,16H,5-9H2;1H
InChIKeyRMEIPGLLIFIUFY-UHFFFAOYSA-N
XLogP3.39
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole;hydrochloride?
The IUPAC name of 2-[(2-fluorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole;hydrochloride (CID 52985927) is 2-[(2-fluorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole;hydrochloride.
What is the SMILES notation for 2-[(2-fluorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole;hydrochloride?
The canonical SMILES for 2-[(2-fluorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole;hydrochloride is Cl.Fc1ccccc1CSc1nnc(C2CCNCC2)o1.
What is the InChIKey of 2-[(2-fluorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole;hydrochloride?
The InChIKey is RMEIPGLLIFIUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS.ClH/c15-12-4-2-1-3-11(12)9-20-14-18-17-13(19-14)10-5-7-16-8-6-10;/h1-4,10,16H,5-9H2;1H.
What are the key properties of 2-[(2-fluorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole;hydrochloride?
2-[(2-fluorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole;hydrochloride has a molecular weight of 329.83 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole;hydrochloride is sourced from PubChem (CID 52985927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).