2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole

C14H15ClFN3OS — CID 22694272

IUPAC2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole
SMILESFc1cccc(Cl)c1CSc1nnc(C2CCNCC2)o1
InChIInChI=1S/C14H15ClFN3OS/c15-11-2-1-3-12(16)10(11)8-21-14-19-18-13(20-14)9-4-6-17-7-5-9/h1-3,9,17H,4-8H2
InChIKeyIMBAZCHJRPNLKJ-UHFFFAOYSA-N
MW327.81 g/mol
LogP3.62
Rot. Bonds4

About 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole

2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole (PubChem CID 22694272) has the molecular formula C14H15ClFN3OS and a molecular weight of 327.81 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole
PubChem CID22694272
Molecular FormulaC14H15ClFN3OS
Molecular Weight327.81 g/mol
Exact Mass327.06
IUPAC Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole
SMILESFc1cccc(Cl)c1CSc1nnc(C2CCNCC2)o1
InChIInChI=1S/C14H15ClFN3OS/c15-11-2-1-3-12(16)10(11)8-21-14-19-18-13(20-14)9-4-6-17-7-5-9/h1-3,9,17H,4-8H2
InChIKeyIMBAZCHJRPNLKJ-UHFFFAOYSA-N
XLogP3.62
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole (CID 22694272) is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole is Fc1cccc(Cl)c1CSc1nnc(C2CCNCC2)o1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole?
The InChIKey is IMBAZCHJRPNLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3OS/c15-11-2-1-3-12(16)10(11)8-21-14-19-18-13(20-14)9-4-6-17-7-5-9/h1-3,9,17H,4-8H2.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole?
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole has a molecular weight of 327.81 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 22694272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).