3-cyclohexyl-5-phenyl-1,2,4-oxadiazole

C14H16N2O — CID 876263

IUPAC3-cyclohexyl-5-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2nc(C3CCCCC3)no2)cc1
InChIInChI=1S/C14H16N2O/c1-3-7-11(8-4-1)13-15-14(17-16-13)12-9-5-2-6-10-12/h2,5-6,9-11H,1,3-4,7-8H2
InChIKeyBOMTUBVUSUAXBH-UHFFFAOYSA-N
MW228.30 g/mol
LogP3.78
Rot. Bonds2

About 3-cyclohexyl-5-phenyl-1,2,4-oxadiazole

3-cyclohexyl-5-phenyl-1,2,4-oxadiazole (PubChem CID 876263) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-cyclohexyl-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclohexyl-5-phenyl-1,2,4-oxadiazole
PubChem CID876263
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name3-cyclohexyl-5-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2nc(C3CCCCC3)no2)cc1
InChIInChI=1S/C14H16N2O/c1-3-7-11(8-4-1)13-15-14(17-16-13)12-9-5-2-6-10-12/h2,5-6,9-11H,1,3-4,7-8H2
InChIKeyBOMTUBVUSUAXBH-UHFFFAOYSA-N
XLogP3.78
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-cyclohexyl-5-phenyl-1,2,4-oxadiazole (CID 876263) is 3-cyclohexyl-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclohexyl-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclohexyl-5-phenyl-1,2,4-oxadiazole is c1ccc(-c2nc(C3CCCCC3)no2)cc1.
What is the InChIKey of 3-cyclohexyl-5-phenyl-1,2,4-oxadiazole?
The InChIKey is BOMTUBVUSUAXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-3-7-11(8-4-1)13-15-14(17-16-13)12-9-5-2-6-10-12/h2,5-6,9-11H,1,3-4,7-8H2.
What are the key properties of 3-cyclohexyl-5-phenyl-1,2,4-oxadiazole?
3-cyclohexyl-5-phenyl-1,2,4-oxadiazole has a molecular weight of 228.30 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 876263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).