3-[(4-fluorophenyl)methyl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole

C16H20FN3O — CID 62216870

IUPAC3-[(4-fluorophenyl)methyl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
SMILESFc1ccc(Cc2noc(CCC3CCNCC3)n2)cc1
InChIInChI=1S/C16H20FN3O/c17-14-4-1-13(2-5-14)11-15-19-16(21-20-15)6-3-12-7-9-18-10-8-12/h1-2,4-5,12,18H,3,6-11H2
InChIKeyWXTVRGKNEKHXAS-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.73
Rot. Bonds5

About 3-[(4-fluorophenyl)methyl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole

3-[(4-fluorophenyl)methyl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole (PubChem CID 62216870) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
PubChem CID62216870
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name3-[(4-fluorophenyl)methyl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
SMILESFc1ccc(Cc2noc(CCC3CCNCC3)n2)cc1
InChIInChI=1S/C16H20FN3O/c17-14-4-1-13(2-5-14)11-15-19-16(21-20-15)6-3-12-7-9-18-10-8-12/h1-2,4-5,12,18H,3,6-11H2
InChIKeyWXTVRGKNEKHXAS-UHFFFAOYSA-N
XLogP2.73
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chlorophenyl)methyl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 62216700
5-(2-piperidin-4-ylethyl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 62502682
3-(5-fluoro-2-pyridinyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 79719984
3-[(4-chlorophenyl)methyl]-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 119948432
3-(ethylsulfanylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 65130592
3-(methylsulfonylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 62475251
N,N-diethyl-2-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 62216530
N-methyl-2-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]acetamide;hydrochloride
CID 120841860
3-(4-ethylphenyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 62216212
5-[(4-fluorophenyl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63015400
3-(oxolan-3-ylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 103985671
5-(2-piperidin-4-ylethyl)-3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 65134669

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole (CID 62216870) is 3-[(4-fluorophenyl)methyl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole is Fc1ccc(Cc2noc(CCC3CCNCC3)n2)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole?
The InChIKey is WXTVRGKNEKHXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c17-14-4-1-13(2-5-14)11-15-19-16(21-20-15)6-3-12-7-9-18-10-8-12/h1-2,4-5,12,18H,3,6-11H2.
What are the key properties of 3-[(4-fluorophenyl)methyl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole?
3-[(4-fluorophenyl)methyl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole has a molecular weight of 289.35 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 62216870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).