3-(4-phenylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole

C19H19N3O — CID 59657721

IUPAC3-(4-phenylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESc1ccc(-c2ccc(-c3noc(C4CCNCC4)n3)cc2)cc1
InChIInChI=1S/C19H19N3O/c1-2-4-14(5-3-1)15-6-8-16(9-7-15)18-21-19(23-22-18)17-10-12-20-13-11-17/h1-9,17,20H,10-13H2
InChIKeyKMNJZAOMEHERDZ-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.87
Rot. Bonds3

About 3-(4-phenylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole

3-(4-phenylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole (PubChem CID 59657721) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-(4-phenylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-phenylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
PubChem CID59657721
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name3-(4-phenylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESc1ccc(-c2ccc(-c3noc(C4CCNCC4)n3)cc2)cc1
InChIInChI=1S/C19H19N3O/c1-2-4-14(5-3-1)15-6-8-16(9-7-15)18-21-19(23-22-18)17-10-12-20-13-11-17/h1-9,17,20H,10-13H2
InChIKeyKMNJZAOMEHERDZ-UHFFFAOYSA-N
XLogP3.87
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(4-phenylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole (CID 59657721) is 3-(4-phenylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-phenylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-phenylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole is c1ccc(-c2ccc(-c3noc(C4CCNCC4)n3)cc2)cc1.
What is the InChIKey of 3-(4-phenylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The InChIKey is KMNJZAOMEHERDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-2-4-14(5-3-1)15-6-8-16(9-7-15)18-21-19(23-22-18)17-10-12-20-13-11-17/h1-9,17,20H,10-13H2.
What are the key properties of 3-(4-phenylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
3-(4-phenylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole has a molecular weight of 305.38 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 59657721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).