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

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Related Compounds

3-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]-5-methyl-1,2,4-triazine
CID 53493919
2-[4-(2-chlorophenoxy)piperidin-1-yl]-5-propyl-1,3,4-oxadiazole
CID 72839343
2-amino-2-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]acetaldehyde
CID 87187264
2-butyl-5-[4-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]-2-methoxyphenyl]-1,3,4-thiadiazole
CID 178173782
2-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridine
CID 133390966
3-chloro-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazine
CID 118310232
4-[4-(2-chlorophenoxy)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
CID 133391095
[5-[4-[(3R)-3-(2-chloro-5-fluorophenoxy)pyrrolidin-1-yl]phenyl]-1,3,4-thiadiazol-2-yl]methyl acetate
CID 178173796
6-[4-(2,5-dichlorophenoxy)piperidin-1-yl]pyridazine-3-carboxylic acid
CID 16731863
6-[4-(2-chlorophenoxy)piperidin-1-yl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133391043
2-cyclohexyloxy-4-fluoro-1-methylbenzene
CID 102990540
4-(2-chloro-5-ethylphenoxy)-1-methylpiperidine
CID 177191064

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).