3,5-dicyclohexyl-1,2,4-oxadiazole

C14H22N2O — CID 30024018

IUPAC3,5-dicyclohexyl-1,2,4-oxadiazole
SMILESC1CCC(c2noc(C3CCCCC3)n2)CC1
InChIInChI=1S/C14H22N2O/c1-3-7-11(8-4-1)13-15-14(17-16-13)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeySODOCFPIOAUEDG-UHFFFAOYSA-N
MW234.34 g/mol
LogP4.16
Rot. Bonds2

About 3,5-dicyclohexyl-1,2,4-oxadiazole

3,5-dicyclohexyl-1,2,4-oxadiazole (PubChem CID 30024018) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3,5-dicyclohexyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3,5-dicyclohexyl-1,2,4-oxadiazole
PubChem CID30024018
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3,5-dicyclohexyl-1,2,4-oxadiazole
SMILESC1CCC(c2noc(C3CCCCC3)n2)CC1
InChIInChI=1S/C14H22N2O/c1-3-7-11(8-4-1)13-15-14(17-16-13)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeySODOCFPIOAUEDG-UHFFFAOYSA-N
XLogP4.16
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dicyclohexyl-1,2,4-oxadiazole?
The IUPAC name of 3,5-dicyclohexyl-1,2,4-oxadiazole (CID 30024018) is 3,5-dicyclohexyl-1,2,4-oxadiazole.
What is the SMILES notation for 3,5-dicyclohexyl-1,2,4-oxadiazole?
The canonical SMILES for 3,5-dicyclohexyl-1,2,4-oxadiazole is C1CCC(c2noc(C3CCCCC3)n2)CC1.
What is the InChIKey of 3,5-dicyclohexyl-1,2,4-oxadiazole?
The InChIKey is SODOCFPIOAUEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-7-11(8-4-1)13-15-14(17-16-13)12-9-5-2-6-10-12/h11-12H,1-10H2.
What are the key properties of 3,5-dicyclohexyl-1,2,4-oxadiazole?
3,5-dicyclohexyl-1,2,4-oxadiazole has a molecular weight of 234.34 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dicyclohexyl-1,2,4-oxadiazole is sourced from PubChem (CID 30024018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).