2-butoxy-N-[(3-butoxy-1,2-oxazol-5-yl)methyl]ethanamine

C14H26N2O3 — CID 71141186

IUPAC2-butoxy-N-[(3-butoxy-1,2-oxazol-5-yl)methyl]ethanamine
SMILESCCCCOCCNCc1cc(OCCCC)no1
InChIInChI=1S/C14H26N2O3/c1-3-5-8-17-10-7-15-12-13-11-14(16-19-13)18-9-6-4-2/h11,15H,3-10,12H2,1-2H3
InChIKeyLPTVJGDHLPZGQW-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.76
Rot. Bonds12

About 2-butoxy-N-[(3-butoxy-1,2-oxazol-5-yl)methyl]ethanamine

2-butoxy-N-[(3-butoxy-1,2-oxazol-5-yl)methyl]ethanamine (PubChem CID 71141186) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-butoxy-N-[(3-butoxy-1,2-oxazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-butoxy-N-[(3-butoxy-1,2-oxazol-5-yl)methyl]ethanamine
PubChem CID71141186
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-butoxy-N-[(3-butoxy-1,2-oxazol-5-yl)methyl]ethanamine
SMILESCCCCOCCNCc1cc(OCCCC)no1
InChIInChI=1S/C14H26N2O3/c1-3-5-8-17-10-7-15-12-13-11-14(16-19-13)18-9-6-4-2/h11,15H,3-10,12H2,1-2H3
InChIKeyLPTVJGDHLPZGQW-UHFFFAOYSA-N
XLogP2.76
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(3-Piperidin-1-yl-propoxy)-isoxazol-5-ylmethyl]-morpholine
CID 11507838
3-(3-(Piperidin-1-yl)propoxy)-5-(piperidin-1-ylmethyl)isoxazole
CID 11630921
(2-Methoxy-ethyl)-[3-(3-piperidin-1-yl-propoxy)-isoxazol-5-ylmethyl]-amine
CID 11666530
Trimethyl-[4-[(5-methyl-1,2-oxazol-3-yl)oxy]but-2-ynyl]azanium iodide
CID 44437242
3-[[(2S)-azetidin-2-yl]methoxy]-5-(methoxymethyl)-1,2-oxazole
CID 56949641
3-[[(2S)-azetidin-2-yl]methoxy]-5-methyl-1,2-oxazole
CID 56949762
3-Methoxy-5-isoxazolemethanamine
CID 2763227
N-cycloheptyl-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 4792847
2-ethyl-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-6-methylmorpholine-4-carboxamide
CID 132314926
N'-[[3-(trifluoromethoxy)-1,2-oxazol-5-yl]methyl]ethane-1,2-diamine
CID 70458636
[5-(Aminomethyl)-1,2-oxazol-3-yl] propanoate
CID 21948250
N,N-dimethyl-4-[(5-methylisoxazol-3-yl)oxy]but-2-yn-1-amine methiodide
CID 24809738

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[(3-butoxy-1,2-oxazol-5-yl)methyl]ethanamine?
The IUPAC name of 2-butoxy-N-[(3-butoxy-1,2-oxazol-5-yl)methyl]ethanamine (CID 71141186) is 2-butoxy-N-[(3-butoxy-1,2-oxazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-butoxy-N-[(3-butoxy-1,2-oxazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2-butoxy-N-[(3-butoxy-1,2-oxazol-5-yl)methyl]ethanamine is CCCCOCCNCc1cc(OCCCC)no1.
What is the InChIKey of 2-butoxy-N-[(3-butoxy-1,2-oxazol-5-yl)methyl]ethanamine?
The InChIKey is LPTVJGDHLPZGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-5-8-17-10-7-15-12-13-11-14(16-19-13)18-9-6-4-2/h11,15H,3-10,12H2,1-2H3.
What are the key properties of 2-butoxy-N-[(3-butoxy-1,2-oxazol-5-yl)methyl]ethanamine?
2-butoxy-N-[(3-butoxy-1,2-oxazol-5-yl)methyl]ethanamine has a molecular weight of 270.37 g/mol, XLogP of 2.76, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[(3-butoxy-1,2-oxazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 71141186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).