5-(2-chloro-6-fluorophenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole

C14H15ClFN3O — CID 63222141

IUPAC5-(2-chloro-6-fluorophenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
SMILESFc1cccc(Cl)c1-c1nc(CC2CCCNC2)no1
InChIInChI=1S/C14H15ClFN3O/c15-10-4-1-5-11(16)13(10)14-18-12(19-20-14)7-9-3-2-6-17-8-9/h1,4-5,9,17H,2-3,6-8H2
InChIKeyMAYZLRQCYDOVPJ-UHFFFAOYSA-N
MW295.74 g/mol
LogP3.07
Rot. Bonds3

About 5-(2-chloro-6-fluorophenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole

5-(2-chloro-6-fluorophenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole (PubChem CID 63222141) has the molecular formula C14H15ClFN3O and a molecular weight of 295.74 g/mol. Its IUPAC name is 5-(2-chloro-6-fluorophenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-chloro-6-fluorophenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
PubChem CID63222141
Molecular FormulaC14H15ClFN3O
Molecular Weight295.74 g/mol
Exact Mass295.09
IUPAC Name5-(2-chloro-6-fluorophenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
SMILESFc1cccc(Cl)c1-c1nc(CC2CCCNC2)no1
InChIInChI=1S/C14H15ClFN3O/c15-10-4-1-5-11(16)13(10)14-18-12(19-20-14)7-9-3-2-6-17-8-9/h1,4-5,9,17H,2-3,6-8H2
InChIKeyMAYZLRQCYDOVPJ-UHFFFAOYSA-N
XLogP3.07
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-chloro-6-fluorophenyl)methyl]-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 63221648
5-(2-fluoro-3-methylphenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 81477680
3-(piperidin-3-ylmethyl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 63221731
[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324775
3-(piperidin-3-ylmethyl)-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride
CID 146064536
5-(2,6-dichlorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63026121
5-(3-methoxyphenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 63221826
5-(2,6-difluorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024920
2-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
CID 136670697
5-(2-methyl-1,3-thiazol-4-yl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 65198751
5-(4-bromo-2-methylphenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 63221693
5-(5-bromo-4-methylthiophen-2-yl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 79996322

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-fluorophenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-chloro-6-fluorophenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole (CID 63222141) is 5-(2-chloro-6-fluorophenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-chloro-6-fluorophenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-chloro-6-fluorophenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole is Fc1cccc(Cl)c1-c1nc(CC2CCCNC2)no1.
What is the InChIKey of 5-(2-chloro-6-fluorophenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is MAYZLRQCYDOVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O/c15-10-4-1-5-11(16)13(10)14-18-12(19-20-14)7-9-3-2-6-17-8-9/h1,4-5,9,17H,2-3,6-8H2.
What are the key properties of 5-(2-chloro-6-fluorophenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
5-(2-chloro-6-fluorophenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 295.74 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-fluorophenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 63222141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).