3-(4-methylphenyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole

C15H19N3O — CID 63123728

IUPAC3-(4-methylphenyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(C3(C)CCNCC3)n2)cc1
InChIInChI=1S/C15H19N3O/c1-11-3-5-12(6-4-11)13-17-14(19-18-13)15(2)7-9-16-10-8-15/h3-6,16H,7-10H2,1-2H3
InChIKeyVAVMHUHUVOFLHN-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.69
Rot. Bonds2

About 3-(4-methylphenyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole

3-(4-methylphenyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 63123728) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID63123728
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-(4-methylphenyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(C3(C)CCNCC3)n2)cc1
InChIInChI=1S/C15H19N3O/c1-11-3-5-12(6-4-11)13-17-14(19-18-13)15(2)7-9-16-10-8-15/h3-6,16H,7-10H2,1-2H3
InChIKeyVAVMHUHUVOFLHN-UHFFFAOYSA-N
XLogP2.69
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methylpiperidin-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 63123750
4-[5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136889000
5-(4-methylpiperidin-4-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 63124283
5-(4-methylpiperidin-4-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole
CID 63124239
3-(3-bromo-4-chlorophenyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 115565653
3-(3-bromo-4-fluorophenyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 82810491
1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride
CID 119999976
3-(3-bromophenyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63144733
3-(3-bromo-4-methoxyphenyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 106950718
3-(2-methylfuran-3-yl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 113453228
3-(4-methylphenyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 106977854
4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-4-ol
CID 106950041

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methylphenyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole (CID 63123728) is 3-(4-methylphenyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methylphenyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methylphenyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole is Cc1ccc(-c2noc(C3(C)CCNCC3)n2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is VAVMHUHUVOFLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-3-5-12(6-4-11)13-17-14(19-18-13)15(2)7-9-16-10-8-15/h3-6,16H,7-10H2,1-2H3.
What are the key properties of 3-(4-methylphenyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
3-(4-methylphenyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 257.34 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 63123728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).