3-cyclohexyl-5-[4-(4-propylcyclohexyl)phenyl]-1,2,4-oxadiazole

C23H32N2O — CID 2179964

IUPAC3-cyclohexyl-5-[4-(4-propylcyclohexyl)phenyl]-1,2,4-oxadiazole
SMILESCCCC1CCC(c2ccc(-c3nc(C4CCCCC4)no3)cc2)CC1
InChIInChI=1S/C23H32N2O/c1-2-6-17-9-11-18(12-10-17)19-13-15-21(16-14-19)23-24-22(25-26-23)20-7-4-3-5-8-20/h13-18,20H,2-12H2,1H3
InChIKeyDLNUAALDGOJUTC-UHFFFAOYSA-N
MW352.52 g/mol
LogP6.86
Rot. Bonds5

About 3-cyclohexyl-5-[4-(4-propylcyclohexyl)phenyl]-1,2,4-oxadiazole

3-cyclohexyl-5-[4-(4-propylcyclohexyl)phenyl]-1,2,4-oxadiazole (PubChem CID 2179964) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is 3-cyclohexyl-5-[4-(4-propylcyclohexyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclohexyl-5-[4-(4-propylcyclohexyl)phenyl]-1,2,4-oxadiazole
PubChem CID2179964
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC Name3-cyclohexyl-5-[4-(4-propylcyclohexyl)phenyl]-1,2,4-oxadiazole
SMILESCCCC1CCC(c2ccc(-c3nc(C4CCCCC4)no3)cc2)CC1
InChIInChI=1S/C23H32N2O/c1-2-6-17-9-11-18(12-10-17)19-13-15-21(16-14-19)23-24-22(25-26-23)20-7-4-3-5-8-20/h13-18,20H,2-12H2,1H3
InChIKeyDLNUAALDGOJUTC-UHFFFAOYSA-N
XLogP6.86
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-[4-(4-propylcyclohexyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclohexyl-5-[4-(4-propylcyclohexyl)phenyl]-1,2,4-oxadiazole (CID 2179964) is 3-cyclohexyl-5-[4-(4-propylcyclohexyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclohexyl-5-[4-(4-propylcyclohexyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclohexyl-5-[4-(4-propylcyclohexyl)phenyl]-1,2,4-oxadiazole is CCCC1CCC(c2ccc(-c3nc(C4CCCCC4)no3)cc2)CC1.
What is the InChIKey of 3-cyclohexyl-5-[4-(4-propylcyclohexyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is DLNUAALDGOJUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O/c1-2-6-17-9-11-18(12-10-17)19-13-15-21(16-14-19)23-24-22(25-26-23)20-7-4-3-5-8-20/h13-18,20H,2-12H2,1H3.
What are the key properties of 3-cyclohexyl-5-[4-(4-propylcyclohexyl)phenyl]-1,2,4-oxadiazole?
3-cyclohexyl-5-[4-(4-propylcyclohexyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 352.52 g/mol, XLogP of 6.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-[4-(4-propylcyclohexyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 2179964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).