1-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine

C12H21N3O3 — CID 55124311

IUPAC1-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1nnc(C2COCCO2)o1
InChIInChI=1S/C12H21N3O3/c1-3-5-13-9(4-2)11-14-15-12(18-11)10-8-16-6-7-17-10/h9-10,13H,3-8H2,1-2H3
InChIKeyGZLCKXQERIUHCE-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.61
Rot. Bonds6

About 1-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine

1-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine (PubChem CID 55124311) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
PubChem CID55124311
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name1-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1nnc(C2COCCO2)o1
InChIInChI=1S/C12H21N3O3/c1-3-5-13-9(4-2)11-14-15-12(18-11)10-8-16-6-7-17-10/h9-10,13H,3-8H2,1-2H3
InChIKeyGZLCKXQERIUHCE-UHFFFAOYSA-N
XLogP1.61
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-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-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The IUPAC name of 1-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine (CID 55124311) is 1-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine is CCCNC(CC)c1nnc(C2COCCO2)o1.
What is the InChIKey of 1-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The InChIKey is GZLCKXQERIUHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-3-5-13-9(4-2)11-14-15-12(18-11)10-8-16-6-7-17-10/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 1-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
1-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine has a molecular weight of 255.32 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 55124311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).