2-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine

C12H23N3O3 — CID 104637023

IUPAC2-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
SMILESCCCOCC(C)(N)c1noc(COC(C)C)n1
InChIInChI=1S/C12H23N3O3/c1-5-6-16-8-12(4,13)11-14-10(18-15-11)7-17-9(2)3/h9H,5-8,13H2,1-4H3
InChIKeyUCSPWBYNHXQBOP-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.60
Rot. Bonds8

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

2-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine (PubChem CID 104637023) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine.

Molecular Properties

Compound Name2-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
PubChem CID104637023
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
SMILESCCCOCC(C)(N)c1noc(COC(C)C)n1
InChIInChI=1S/C12H23N3O3/c1-5-6-16-8-12(4,13)11-14-10(18-15-11)7-17-9(2)3/h9H,5-8,13H2,1-4H3
InChIKeyUCSPWBYNHXQBOP-UHFFFAOYSA-N
XLogP1.60
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-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

Related Compounds

1-ethoxy-2-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 113435681
1-propoxy-2-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 103211847
1-methoxy-2-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 107940748
2-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 104637046
2-(5-butyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine
CID 104637288
1-propan-2-yloxy-2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 103211850
2-[5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 114458872
1-ethoxy-2-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636628
2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine
CID 104637170
2-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 104637074
1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 113435486
2-[5-(3-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 113435718

Frequently Asked Questions

What is the IUPAC name of 2-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine?
The IUPAC name of 2-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine (CID 104637023) is 2-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine.
What is the SMILES notation for 2-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine?
The canonical SMILES for 2-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine is CCCOCC(C)(N)c1noc(COC(C)C)n1.
What is the InChIKey of 2-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine?
The InChIKey is UCSPWBYNHXQBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-5-6-16-8-12(4,13)11-14-10(18-15-11)7-17-9(2)3/h9H,5-8,13H2,1-4H3.
What are the key properties of 2-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine?
2-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine has a molecular weight of 257.33 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine is sourced from PubChem (CID 104637023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).