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

C11H18N2O — CID 89033131

IUPAC2-(4-ethylcyclohexyl)-5-methyl-1,3,4-oxadiazole
SMILESCCC1CCC(c2nnc(C)o2)CC1
InChIInChI=1S/C11H18N2O/c1-3-9-4-6-10(7-5-9)11-13-12-8(2)14-11/h9-10H,3-7H2,1-2H3
InChIKeyNBDQWZHAIGGIQD-UHFFFAOYSA-N
MW194.28 g/mol
LogP3.06
Rot. Bonds2

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

2-(4-ethylcyclohexyl)-5-methyl-1,3,4-oxadiazole (PubChem CID 89033131) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(4-ethylcyclohexyl)-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-ethylcyclohexyl)-5-methyl-1,3,4-oxadiazole
PubChem CID89033131
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-(4-ethylcyclohexyl)-5-methyl-1,3,4-oxadiazole
SMILESCCC1CCC(c2nnc(C)o2)CC1
InChIInChI=1S/C11H18N2O/c1-3-9-4-6-10(7-5-9)11-13-12-8(2)14-11/h9-10H,3-7H2,1-2H3
InChIKeyNBDQWZHAIGGIQD-UHFFFAOYSA-N
XLogP3.06
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylcyclohexyl)-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-(4-ethylcyclohexyl)-5-methyl-1,3,4-oxadiazole (CID 89033131) is 2-(4-ethylcyclohexyl)-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-ethylcyclohexyl)-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-ethylcyclohexyl)-5-methyl-1,3,4-oxadiazole is CCC1CCC(c2nnc(C)o2)CC1.
What is the InChIKey of 2-(4-ethylcyclohexyl)-5-methyl-1,3,4-oxadiazole?
The InChIKey is NBDQWZHAIGGIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-9-4-6-10(7-5-9)11-13-12-8(2)14-11/h9-10H,3-7H2,1-2H3.
What are the key properties of 2-(4-ethylcyclohexyl)-5-methyl-1,3,4-oxadiazole?
2-(4-ethylcyclohexyl)-5-methyl-1,3,4-oxadiazole has a molecular weight of 194.28 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylcyclohexyl)-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 89033131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).