2-ethoxy-1-[5-(4-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine

C13H23N3O2 — CID 104634069

IUPAC2-ethoxy-1-[5-(4-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCCOCC(N)c1noc(C2CCC(C)CC2)n1
InChIInChI=1S/C13H23N3O2/c1-3-17-8-11(14)12-15-13(18-16-12)10-6-4-9(2)5-7-10/h9-11H,3-8,14H2,1-2H3
InChIKeyUUSFQTKBVYTQAY-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.40
Rot. Bonds5

About 2-ethoxy-1-[5-(4-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine

2-ethoxy-1-[5-(4-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 104634069) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-ethoxy-1-[5-(4-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-ethoxy-1-[5-(4-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID104634069
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-ethoxy-1-[5-(4-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCCOCC(N)c1noc(C2CCC(C)CC2)n1
InChIInChI=1S/C13H23N3O2/c1-3-17-8-11(14)12-15-13(18-16-12)10-6-4-9(2)5-7-10/h9-11H,3-8,14H2,1-2H3
InChIKeyUUSFQTKBVYTQAY-UHFFFAOYSA-N
XLogP2.40
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 61326658
1-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 113435494
3-(1-chloropropyl)-5-(4-methylcyclohexyl)-1,2,4-oxadiazole
CID 103095705
1-[5-(3-bicyclo[3.1.0]hexanyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
CID 104633756
2-ethoxy-1-[5-(3-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633955
2-ethoxy-1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634060
2-ethoxy-1-[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633999
2-ethoxy-1-(5-heptyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 113435433
1-[5-(1,1-dioxothian-2-yl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 104634466
1-[5-(4-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61326434
2-methoxy-1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633520
1-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634765

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[5-(4-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 2-ethoxy-1-[5-(4-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 104634069) is 2-ethoxy-1-[5-(4-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 2-ethoxy-1-[5-(4-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 2-ethoxy-1-[5-(4-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine is CCOCC(N)c1noc(C2CCC(C)CC2)n1.
What is the InChIKey of 2-ethoxy-1-[5-(4-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is UUSFQTKBVYTQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-17-8-11(14)12-15-13(18-16-12)10-6-4-9(2)5-7-10/h9-11H,3-8,14H2,1-2H3.
What are the key properties of 2-ethoxy-1-[5-(4-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine?
2-ethoxy-1-[5-(4-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 253.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[5-(4-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 104634069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).