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

C14H15ClN2O — CID 741929

IUPAC5-(4-chlorophenyl)-3-cyclohexyl-1,2,4-oxadiazole
SMILESClc1ccc(-c2nc(C3CCCCC3)no2)cc1
InChIInChI=1S/C14H15ClN2O/c15-12-8-6-11(7-9-12)14-16-13(17-18-14)10-4-2-1-3-5-10/h6-10H,1-5H2
InChIKeyIPESGZGLXSYLIQ-UHFFFAOYSA-N
MW262.74 g/mol
LogP4.44
Rot. Bonds2

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

5-(4-chlorophenyl)-3-cyclohexyl-1,2,4-oxadiazole (PubChem CID 741929) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-cyclohexyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-cyclohexyl-1,2,4-oxadiazole
PubChem CID741929
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name5-(4-chlorophenyl)-3-cyclohexyl-1,2,4-oxadiazole
SMILESClc1ccc(-c2nc(C3CCCCC3)no2)cc1
InChIInChI=1S/C14H15ClN2O/c15-12-8-6-11(7-9-12)14-16-13(17-18-14)10-4-2-1-3-5-10/h6-10H,1-5H2
InChIKeyIPESGZGLXSYLIQ-UHFFFAOYSA-N
XLogP4.44
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-cyclohexyl-1,2,4-oxadiazole?
The IUPAC name of 5-(4-chlorophenyl)-3-cyclohexyl-1,2,4-oxadiazole (CID 741929) is 5-(4-chlorophenyl)-3-cyclohexyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-cyclohexyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-cyclohexyl-1,2,4-oxadiazole is Clc1ccc(-c2nc(C3CCCCC3)no2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-cyclohexyl-1,2,4-oxadiazole?
The InChIKey is IPESGZGLXSYLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-12-8-6-11(7-9-12)14-16-13(17-18-14)10-4-2-1-3-5-10/h6-10H,1-5H2.
What are the key properties of 5-(4-chlorophenyl)-3-cyclohexyl-1,2,4-oxadiazole?
5-(4-chlorophenyl)-3-cyclohexyl-1,2,4-oxadiazole has a molecular weight of 262.74 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-cyclohexyl-1,2,4-oxadiazole is sourced from PubChem (CID 741929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).