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

C10H16N2O — CID 4204011

IUPAC2-cyclohexyl-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(C2CCCCC2)o1
InChIInChI=1S/C10H16N2O/c1-2-9-11-12-10(13-9)8-6-4-3-5-7-8/h8H,2-7H2,1H3
InChIKeyPJCCKXYKZZVZLX-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.68
Rot. Bonds2

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

2-cyclohexyl-5-ethyl-1,3,4-oxadiazole (PubChem CID 4204011) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-cyclohexyl-5-ethyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclohexyl-5-ethyl-1,3,4-oxadiazole
PubChem CID4204011
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-cyclohexyl-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(C2CCCCC2)o1
InChIInChI=1S/C10H16N2O/c1-2-9-11-12-10(13-9)8-6-4-3-5-7-8/h8H,2-7H2,1H3
InChIKeyPJCCKXYKZZVZLX-UHFFFAOYSA-N
XLogP2.68
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-ethyl-1,3,4-oxadiazole?
The IUPAC name of 2-cyclohexyl-5-ethyl-1,3,4-oxadiazole (CID 4204011) is 2-cyclohexyl-5-ethyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclohexyl-5-ethyl-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclohexyl-5-ethyl-1,3,4-oxadiazole is CCc1nnc(C2CCCCC2)o1.
What is the InChIKey of 2-cyclohexyl-5-ethyl-1,3,4-oxadiazole?
The InChIKey is PJCCKXYKZZVZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-9-11-12-10(13-9)8-6-4-3-5-7-8/h8H,2-7H2,1H3.
What are the key properties of 2-cyclohexyl-5-ethyl-1,3,4-oxadiazole?
2-cyclohexyl-5-ethyl-1,3,4-oxadiazole has a molecular weight of 180.25 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-ethyl-1,3,4-oxadiazole is sourced from PubChem (CID 4204011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).