1-[4-[3-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone

C15H15ClFN3O2 — CID 136531424

IUPAC1-[4-[3-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nc(-c3cccc(Cl)c3F)no2)CC1
InChIInChI=1S/C15H15ClFN3O2/c1-9(21)20-7-5-10(6-8-20)15-18-14(19-22-15)11-3-2-4-12(16)13(11)17/h2-4,10H,5-8H2,1H3
InChIKeyWALVQEXKMIECDF-UHFFFAOYSA-N
MW323.75 g/mol
LogP3.26
Rot. Bonds2

About 1-[4-[3-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone

1-[4-[3-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone (PubChem CID 136531424) has the molecular formula C15H15ClFN3O2 and a molecular weight of 323.75 g/mol. Its IUPAC name is 1-[4-[3-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
PubChem CID136531424
Molecular FormulaC15H15ClFN3O2
Molecular Weight323.75 g/mol
Exact Mass323.08
IUPAC Name1-[4-[3-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nc(-c3cccc(Cl)c3F)no2)CC1
InChIInChI=1S/C15H15ClFN3O2/c1-9(21)20-7-5-10(6-8-20)15-18-14(19-22-15)11-3-2-4-12(16)13(11)17/h2-4,10H,5-8H2,1H3
InChIKeyWALVQEXKMIECDF-UHFFFAOYSA-N
XLogP3.26
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.75
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[3-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopropylmethanone
CID 119034022
1-[(3R)-3-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone
CID 129397592
1-[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 42760505
1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 812457
[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-2-yl)methanone
CID 648228
4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide
CID 46296092
2-azido-1-[4-[3-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 24802928
4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63346190
[4-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 46096552
methyl 4-[4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]benzoate
CID 46115400
2-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 53152435
N-(1,3-benzodioxol-5-yl)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769336

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone (CID 136531424) is 1-[4-[3-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2nc(-c3cccc(Cl)c3F)no2)CC1.
What is the InChIKey of 1-[4-[3-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
The InChIKey is WALVQEXKMIECDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O2/c1-9(21)20-7-5-10(6-8-20)15-18-14(19-22-15)11-3-2-4-12(16)13(11)17/h2-4,10H,5-8H2,1H3.
What are the key properties of 1-[4-[3-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
1-[4-[3-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 323.75 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 136531424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).