1-ethoxy-2-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine

C12H21N3O3 — CID 113435692

IUPAC1-ethoxy-2-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCCOCC(C)(N)c1noc(C2CCCOC2)n1
InChIInChI=1S/C12H21N3O3/c1-3-16-8-12(2,13)11-14-10(18-15-11)9-5-4-6-17-7-9/h9H,3-8,13H2,1-2H3
InChIKeyWIYULVZOHWZGCM-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.17
Rot. Bonds5

About 1-ethoxy-2-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine

1-ethoxy-2-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 113435692) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-ethoxy-2-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-ethoxy-2-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID113435692
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name1-ethoxy-2-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCCOCC(C)(N)c1noc(C2CCCOC2)n1
InChIInChI=1S/C12H21N3O3/c1-3-16-8-12(2,13)11-14-10(18-15-11)9-5-4-6-17-7-9/h9H,3-8,13H2,1-2H3
InChIKeyWIYULVZOHWZGCM-UHFFFAOYSA-N
XLogP1.17
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-ethoxy-2-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine 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-ethoxy-2-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 1-ethoxy-2-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 113435692) is 1-ethoxy-2-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 1-ethoxy-2-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 1-ethoxy-2-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is CCOCC(C)(N)c1noc(C2CCCOC2)n1.
What is the InChIKey of 1-ethoxy-2-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is WIYULVZOHWZGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-3-16-8-12(2,13)11-14-10(18-15-11)9-5-4-6-17-7-9/h9H,3-8,13H2,1-2H3.
What are the key properties of 1-ethoxy-2-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
1-ethoxy-2-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 255.32 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 113435692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).