3-[2-(3-chlorophenyl)-6-fluorophenyl]-5-piperidin-4-yl-1,2,4-oxadiazole

C19H17ClFN3O — CID 46891023

IUPAC3-[2-(3-chlorophenyl)-6-fluorophenyl]-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESFc1cccc(-c2cccc(Cl)c2)c1-c1noc(C2CCNCC2)n1
InChIInChI=1S/C19H17ClFN3O/c20-14-4-1-3-13(11-14)15-5-2-6-16(21)17(15)18-23-19(25-24-18)12-7-9-22-10-8-12/h1-6,11-12,22H,7-10H2
InChIKeyVEAPZTZLGFDHAO-UHFFFAOYSA-N
MW357.82 g/mol
LogP4.66
Rot. Bonds3

About 3-[2-(3-chlorophenyl)-6-fluorophenyl]-5-piperidin-4-yl-1,2,4-oxadiazole

3-[2-(3-chlorophenyl)-6-fluorophenyl]-5-piperidin-4-yl-1,2,4-oxadiazole (PubChem CID 46891023) has the molecular formula C19H17ClFN3O and a molecular weight of 357.82 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)-6-fluorophenyl]-5-piperidin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)-6-fluorophenyl]-5-piperidin-4-yl-1,2,4-oxadiazole
PubChem CID46891023
Molecular FormulaC19H17ClFN3O
Molecular Weight357.82 g/mol
Exact Mass357.10
IUPAC Name3-[2-(3-chlorophenyl)-6-fluorophenyl]-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESFc1cccc(-c2cccc(Cl)c2)c1-c1noc(C2CCNCC2)n1
InChIInChI=1S/C19H17ClFN3O/c20-14-4-1-3-13(11-14)15-5-2-6-16(21)17(15)18-23-19(25-24-18)12-7-9-22-10-8-12/h1-6,11-12,22H,7-10H2
InChIKeyVEAPZTZLGFDHAO-UHFFFAOYSA-N
XLogP4.66
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)-6-fluorophenyl]-5-piperidin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(3-chlorophenyl)-6-fluorophenyl]-5-piperidin-4-yl-1,2,4-oxadiazole (CID 46891023) is 3-[2-(3-chlorophenyl)-6-fluorophenyl]-5-piperidin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(3-chlorophenyl)-6-fluorophenyl]-5-piperidin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(3-chlorophenyl)-6-fluorophenyl]-5-piperidin-4-yl-1,2,4-oxadiazole is Fc1cccc(-c2cccc(Cl)c2)c1-c1noc(C2CCNCC2)n1.
What is the InChIKey of 3-[2-(3-chlorophenyl)-6-fluorophenyl]-5-piperidin-4-yl-1,2,4-oxadiazole?
The InChIKey is VEAPZTZLGFDHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O/c20-14-4-1-3-13(11-14)15-5-2-6-16(21)17(15)18-23-19(25-24-18)12-7-9-22-10-8-12/h1-6,11-12,22H,7-10H2.
What are the key properties of 3-[2-(3-chlorophenyl)-6-fluorophenyl]-5-piperidin-4-yl-1,2,4-oxadiazole?
3-[2-(3-chlorophenyl)-6-fluorophenyl]-5-piperidin-4-yl-1,2,4-oxadiazole has a molecular weight of 357.82 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)-6-fluorophenyl]-5-piperidin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 46891023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).