1-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine

C11H19N3O4 — CID 113435525

IUPAC1-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
SMILESCC(C)OCC(N)c1noc(C2COCCO2)n1
InChIInChI=1S/C11H19N3O4/c1-7(2)17-5-8(12)10-13-11(18-14-10)9-6-15-3-4-16-9/h7-9H,3-6,12H2,1-2H3
InChIKeyHJFXRYKAMGBQNA-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.58
Rot. Bonds5

About 1-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine

1-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine (PubChem CID 113435525) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name1-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
PubChem CID113435525
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name1-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
SMILESCC(C)OCC(N)c1noc(C2COCCO2)n1
InChIInChI=1S/C11H19N3O4/c1-7(2)17-5-8(12)10-13-11(18-14-10)9-6-15-3-4-16-9/h7-9H,3-6,12H2,1-2H3
InChIKeyHJFXRYKAMGBQNA-UHFFFAOYSA-N
XLogP0.58
TPSA92.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine?
The IUPAC name of 1-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine (CID 113435525) is 1-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine.
What is the SMILES notation for 1-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine?
The canonical SMILES for 1-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine is CC(C)OCC(N)c1noc(C2COCCO2)n1.
What is the InChIKey of 1-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine?
The InChIKey is HJFXRYKAMGBQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-7(2)17-5-8(12)10-13-11(18-14-10)9-6-15-3-4-16-9/h7-9H,3-6,12H2,1-2H3.
What are the key properties of 1-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine?
1-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine has a molecular weight of 257.29 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine is sourced from PubChem (CID 113435525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).