ethyl 3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazole-5-carboxylate

C15H24N2O3 — CID 65401843

IUPACethyl 3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazole-5-carboxylate
SMILESCCOC(=O)c1nc(C2CCC(C(C)(C)C)CC2)no1
InChIInChI=1S/C15H24N2O3/c1-5-19-14(18)13-16-12(17-20-13)10-6-8-11(9-7-10)15(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyJBEYHTHDQXYXKB-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.57
Rot. Bonds3

About ethyl 3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazole-5-carboxylate

ethyl 3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazole-5-carboxylate (PubChem CID 65401843) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is ethyl 3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazole-5-carboxylate
PubChem CID65401843
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nameethyl 3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazole-5-carboxylate
SMILESCCOC(=O)c1nc(C2CCC(C(C)(C)C)CC2)no1
InChIInChI=1S/C15H24N2O3/c1-5-19-14(18)13-16-12(17-20-13)10-6-8-11(9-7-10)15(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyJBEYHTHDQXYXKB-UHFFFAOYSA-N
XLogP3.57
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazole-5-carboxylate?
The IUPAC name of ethyl 3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazole-5-carboxylate (CID 65401843) is ethyl 3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazole-5-carboxylate?
The canonical SMILES for ethyl 3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazole-5-carboxylate is CCOC(=O)c1nc(C2CCC(C(C)(C)C)CC2)no1.
What is the InChIKey of ethyl 3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazole-5-carboxylate?
The InChIKey is JBEYHTHDQXYXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-19-14(18)13-16-12(17-20-13)10-6-8-11(9-7-10)15(2,3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of ethyl 3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazole-5-carboxylate?
ethyl 3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazole-5-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazole-5-carboxylate is sourced from PubChem (CID 65401843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).