2-ethyl-5-(4-ethylcyclohexyl)-1,3,4-oxadiazole

C12H20N2O — CID 70849887

IUPAC2-ethyl-5-(4-ethylcyclohexyl)-1,3,4-oxadiazole
SMILESCCc1nnc(C2CCC(CC)CC2)o1
InChIInChI=1S/C12H20N2O/c1-3-9-5-7-10(8-6-9)12-14-13-11(4-2)15-12/h9-10H,3-8H2,1-2H3
InChIKeyILTNLLQTLIFTKC-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.32
Rot. Bonds3

About 2-ethyl-5-(4-ethylcyclohexyl)-1,3,4-oxadiazole

2-ethyl-5-(4-ethylcyclohexyl)-1,3,4-oxadiazole (PubChem CID 70849887) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-ethyl-5-(4-ethylcyclohexyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-(4-ethylcyclohexyl)-1,3,4-oxadiazole
PubChem CID70849887
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-ethyl-5-(4-ethylcyclohexyl)-1,3,4-oxadiazole
SMILESCCc1nnc(C2CCC(CC)CC2)o1
InChIInChI=1S/C12H20N2O/c1-3-9-5-7-10(8-6-9)12-14-13-11(4-2)15-12/h9-10H,3-8H2,1-2H3
InChIKeyILTNLLQTLIFTKC-UHFFFAOYSA-N
XLogP3.32
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(4-ethylcyclohexyl)-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-(4-ethylcyclohexyl)-1,3,4-oxadiazole (CID 70849887) is 2-ethyl-5-(4-ethylcyclohexyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-(4-ethylcyclohexyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-(4-ethylcyclohexyl)-1,3,4-oxadiazole is CCc1nnc(C2CCC(CC)CC2)o1.
What is the InChIKey of 2-ethyl-5-(4-ethylcyclohexyl)-1,3,4-oxadiazole?
The InChIKey is ILTNLLQTLIFTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-9-5-7-10(8-6-9)12-14-13-11(4-2)15-12/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-ethyl-5-(4-ethylcyclohexyl)-1,3,4-oxadiazole?
2-ethyl-5-(4-ethylcyclohexyl)-1,3,4-oxadiazole has a molecular weight of 208.30 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(4-ethylcyclohexyl)-1,3,4-oxadiazole is sourced from PubChem (CID 70849887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).