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

C9H17N3O2 — CID 64540032

IUPAC3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCCOC(C)c1noc(CCCN)n1
InChIInChI=1S/C9H17N3O2/c1-3-13-7(2)9-11-8(14-12-9)5-4-6-10/h7H,3-6,10H2,1-2H3
InChIKeyNHPFKETUEIFFOA-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.06
Rot. Bonds6

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

3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 64540032) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID64540032
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCCOC(C)c1noc(CCCN)n1
InChIInChI=1S/C9H17N3O2/c1-3-13-7(2)9-11-8(14-12-9)5-4-6-10/h7H,3-6,10H2,1-2H3
InChIKeyNHPFKETUEIFFOA-UHFFFAOYSA-N
XLogP1.06
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Related Compounds

3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79200735
3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 116702101
4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 79616272
2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 64539003
4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 64534643
1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 64538990
1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-amine
CID 64533639
3-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 116704096
N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 64539019
[1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 115458330
3-(1-ethoxyethyl)-5-[[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 166210681
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 25220842

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of 3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 64540032) is 3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for 3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CCOC(C)c1noc(CCCN)n1.
What is the InChIKey of 3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is NHPFKETUEIFFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-3-13-7(2)9-11-8(14-12-9)5-4-6-10/h7H,3-6,10H2,1-2H3.
What are the key properties of 3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 199.25 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 64540032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).