ethyl 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carboxylate

C15H22N2O3 — CID 79471951

IUPACethyl 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(c2nc(C3CCC3)no2)CCCCC1
InChIInChI=1S/C15H22N2O3/c1-2-19-14(18)15(9-4-3-5-10-15)13-16-12(17-20-13)11-7-6-8-11/h11H,2-10H2,1H3
InChIKeyGSGJNJRUXWGHRV-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.10
Rot. Bonds4

About ethyl 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carboxylate

ethyl 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carboxylate (PubChem CID 79471951) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carboxylate
PubChem CID79471951
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nameethyl 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(c2nc(C3CCC3)no2)CCCCC1
InChIInChI=1S/C15H22N2O3/c1-2-19-14(18)15(9-4-3-5-10-15)13-16-12(17-20-13)11-7-6-8-11/h11H,2-10H2,1H3
InChIKeyGSGJNJRUXWGHRV-UHFFFAOYSA-N
XLogP3.10
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carboxylate (CID 79471951) is ethyl 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carboxylate is CCOC(=O)C1(c2nc(C3CCC3)no2)CCCCC1.
What is the InChIKey of ethyl 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carboxylate?
The InChIKey is GSGJNJRUXWGHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-19-14(18)15(9-4-3-5-10-15)13-16-12(17-20-13)11-7-6-8-11/h11H,2-10H2,1H3.
What are the key properties of ethyl 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carboxylate?
ethyl 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carboxylate is sourced from PubChem (CID 79471951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).