5-cyclohexyl-3-(4-methylphenyl)-1,2,4-oxadiazole

C15H18N2O — CID 867104

IUPAC5-cyclohexyl-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(C3CCCCC3)n2)cc1
InChIInChI=1S/C15H18N2O/c1-11-7-9-12(10-8-11)14-16-15(18-17-14)13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3
InChIKeyJCBIAXCBYPBXPI-UHFFFAOYSA-N
MW242.32 g/mol
LogP4.09
Rot. Bonds2

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

5-cyclohexyl-3-(4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 867104) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-cyclohexyl-3-(4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclohexyl-3-(4-methylphenyl)-1,2,4-oxadiazole
PubChem CID867104
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name5-cyclohexyl-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(C3CCCCC3)n2)cc1
InChIInChI=1S/C15H18N2O/c1-11-7-9-12(10-8-11)14-16-15(18-17-14)13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3
InChIKeyJCBIAXCBYPBXPI-UHFFFAOYSA-N
XLogP4.09
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-(4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-cyclohexyl-3-(4-methylphenyl)-1,2,4-oxadiazole (CID 867104) is 5-cyclohexyl-3-(4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclohexyl-3-(4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclohexyl-3-(4-methylphenyl)-1,2,4-oxadiazole is Cc1ccc(-c2noc(C3CCCCC3)n2)cc1.
What is the InChIKey of 5-cyclohexyl-3-(4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is JCBIAXCBYPBXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-7-9-12(10-8-11)14-16-15(18-17-14)13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3.
What are the key properties of 5-cyclohexyl-3-(4-methylphenyl)-1,2,4-oxadiazole?
5-cyclohexyl-3-(4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 242.32 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-(4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 867104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).