2-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]-5-methyl-1,3,4-oxadiazole

C14H15ClFN3O2 — CID 68654116

IUPAC2-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(N2CCC(Oc3cc(F)ccc3Cl)CC2)o1
InChIInChI=1S/C14H15ClFN3O2/c1-9-17-18-14(20-9)19-6-4-11(5-7-19)21-13-8-10(16)2-3-12(13)15/h2-3,8,11H,4-7H2,1H3
InChIKeyGVSOZEQMHBSLLF-UHFFFAOYSA-N
MW311.74 g/mol
LogP3.22
Rot. Bonds3

About 2-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]-5-methyl-1,3,4-oxadiazole

2-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]-5-methyl-1,3,4-oxadiazole (PubChem CID 68654116) has the molecular formula C14H15ClFN3O2 and a molecular weight of 311.74 g/mol. Its IUPAC name is 2-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]-5-methyl-1,3,4-oxadiazole
PubChem CID68654116
Molecular FormulaC14H15ClFN3O2
Molecular Weight311.74 g/mol
Exact Mass311.08
IUPAC Name2-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(N2CCC(Oc3cc(F)ccc3Cl)CC2)o1
InChIInChI=1S/C14H15ClFN3O2/c1-9-17-18-14(20-9)19-6-4-11(5-7-19)21-13-8-10(16)2-3-12(13)15/h2-3,8,11H,4-7H2,1H3
InChIKeyGVSOZEQMHBSLLF-UHFFFAOYSA-N
XLogP3.22
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.74
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]-5-methyl-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-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]-5-methyl-1,3,4-oxadiazole (CID 68654116) is 2-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(N2CCC(Oc3cc(F)ccc3Cl)CC2)o1.
What is the InChIKey of 2-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is GVSOZEQMHBSLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O2/c1-9-17-18-14(20-9)19-6-4-11(5-7-19)21-13-8-10(16)2-3-12(13)15/h2-3,8,11H,4-7H2,1H3.
What are the key properties of 2-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]-5-methyl-1,3,4-oxadiazole?
2-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 311.74 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 68654116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).