3-(4-methylphenyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole

C15H19N3O — CID 752361

IUPAC3-(4-methylphenyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(CN3CCCCC3)n2)cc1
InChIInChI=1S/C15H19N3O/c1-12-5-7-13(8-6-12)15-16-14(19-17-15)11-18-9-3-2-4-10-18/h5-8H,2-4,9-11H2,1H3
InChIKeyFTLREQZYGDEJFX-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.03
Rot. Bonds3

About 3-(4-methylphenyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole

3-(4-methylphenyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 752361) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID752361
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-(4-methylphenyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(CN3CCCCC3)n2)cc1
InChIInChI=1S/C15H19N3O/c1-12-5-7-13(8-6-12)15-16-14(19-17-15)11-18-9-3-2-4-10-18/h5-8H,2-4,9-11H2,1H3
InChIKeyFTLREQZYGDEJFX-UHFFFAOYSA-N
XLogP3.03
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methylphenyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole (CID 752361) is 3-(4-methylphenyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methylphenyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methylphenyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole is Cc1ccc(-c2noc(CN3CCCCC3)n2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is FTLREQZYGDEJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12-5-7-13(8-6-12)15-16-14(19-17-15)11-18-9-3-2-4-10-18/h5-8H,2-4,9-11H2,1H3.
What are the key properties of 3-(4-methylphenyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole?
3-(4-methylphenyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 257.34 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 752361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).