3-ethoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine

C10H17N3O2 — CID 106394510

IUPAC3-ethoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine
SMILESCCOC1CC(NCCc2ncno2)C1
InChIInChI=1S/C10H17N3O2/c1-2-14-9-5-8(6-9)11-4-3-10-12-7-13-15-10/h7-9,11H,2-6H2,1H3
InChIKeyNYFJUCWMVIWKAZ-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.77
Rot. Bonds6

About 3-ethoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine

3-ethoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine (PubChem CID 106394510) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine
PubChem CID106394510
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-ethoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine
SMILESCCOC1CC(NCCc2ncno2)C1
InChIInChI=1S/C10H17N3O2/c1-2-14-9-5-8(6-9)11-4-3-10-12-7-13-15-10/h7-9,11H,2-6H2,1H3
InChIKeyNYFJUCWMVIWKAZ-UHFFFAOYSA-N
XLogP0.77
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine (CID 106394510) is 3-ethoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine is CCOC1CC(NCCc2ncno2)C1.
What is the InChIKey of 3-ethoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine?
The InChIKey is NYFJUCWMVIWKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-14-9-5-8(6-9)11-4-3-10-12-7-13-15-10/h7-9,11H,2-6H2,1H3.
What are the key properties of 3-ethoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine?
3-ethoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine has a molecular weight of 211.26 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 106394510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).