6-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine

C15H29N3O2 — CID 116702190

IUPAC6-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
SMILESCCCC(OCC)c1noc(C(C)CCCC(C)N)n1
InChIInChI=1S/C15H29N3O2/c1-5-8-13(19-6-2)14-17-15(20-18-14)11(3)9-7-10-12(4)16/h11-13H,5-10,16H2,1-4H3
InChIKeyRZIJJHBJQWMRCM-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.57
Rot. Bonds10

About 6-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine

6-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine (PubChem CID 116702190) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 6-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine.

Molecular Properties

Compound Name6-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
PubChem CID116702190
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name6-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
SMILESCCCC(OCC)c1noc(C(C)CCCC(C)N)n1
InChIInChI=1S/C15H29N3O2/c1-5-8-13(19-6-2)14-17-15(20-18-14)11(3)9-7-10-12(4)16/h11-13H,5-10,16H2,1-4H3
InChIKeyRZIJJHBJQWMRCM-UHFFFAOYSA-N
XLogP3.57
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]heptan-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

6-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
CID 116701890
6-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
CID 65285400
(1S)-1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565568
(1S,2S)-1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900344
6-(3-propyl-1,2,4-oxadiazol-5-yl)heptan-2-amine
CID 65285729
3-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluorobutan-2-one
CID 116732568
(1S,2S)-1-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900343
[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]methanol
CID 116732822
(1S)-1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 104894817
2-methoxy-1-(5-pentan-2-yl-1,2,4-oxadiazol-3-yl)ethanamine
CID 104633817
3-(1-ethoxybutyl)-N-ethyl-1,2,4-oxadiazol-5-amine
CID 116730902
1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 116733200

Frequently Asked Questions

What is the IUPAC name of 6-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine?
The IUPAC name of 6-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine (CID 116702190) is 6-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine.
What is the SMILES notation for 6-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine?
The canonical SMILES for 6-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine is CCCC(OCC)c1noc(C(C)CCCC(C)N)n1.
What is the InChIKey of 6-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine?
The InChIKey is RZIJJHBJQWMRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-5-8-13(19-6-2)14-17-15(20-18-14)11(3)9-7-10-12(4)16/h11-13H,5-10,16H2,1-4H3.
What are the key properties of 6-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine?
6-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine has a molecular weight of 283.42 g/mol, XLogP of 3.57, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine is sourced from PubChem (CID 116702190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).