2-methoxy-N-[[3-(3-piperidin-1-ylpropoxy)-1,2-oxazol-5-yl]methyl]ethanamine

C15H27N3O3 — CID 11666530

IUPAC2-methoxy-N-[[3-(3-piperidin-1-ylpropoxy)-1,2-oxazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1cc(OCCCN2CCCCC2)no1
InChIInChI=1S/C15H27N3O3/c1-19-11-6-16-13-14-12-15(17-21-14)20-10-5-9-18-7-3-2-4-8-18/h12,16H,2-11,13H2,1H3
InChIKeyUUUVBWRORGAQIW-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.67
Rot. Bonds10

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

2-methoxy-N-[[3-(3-piperidin-1-ylpropoxy)-1,2-oxazol-5-yl]methyl]ethanamine (PubChem CID 11666530) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-methoxy-N-[[3-(3-piperidin-1-ylpropoxy)-1,2-oxazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[3-(3-piperidin-1-ylpropoxy)-1,2-oxazol-5-yl]methyl]ethanamine
PubChem CID11666530
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-methoxy-N-[[3-(3-piperidin-1-ylpropoxy)-1,2-oxazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1cc(OCCCN2CCCCC2)no1
InChIInChI=1S/C15H27N3O3/c1-19-11-6-16-13-14-12-15(17-21-14)20-10-5-9-18-7-3-2-4-8-18/h12,16H,2-11,13H2,1H3
InChIKeyUUUVBWRORGAQIW-UHFFFAOYSA-N
XLogP1.67
TPSA59.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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
3-[[(2S)-azetidin-2-yl]methoxy]-5-methyl-1,2-oxazole
CID 56949762
2-ethyl-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-6-methylmorpholine-4-carboxamide
CID 132314926
3-Methoxy-5-[[3-(2,2,2-trifluoroethyl)piperidin-1-yl]methyl]-1,2-oxazole
CID 137835918
3-[(1-Fluoropiperidin-4-yl)methoxy]-5-methyl-1,2-oxazole
CID 178018903
3-(1-Azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-oxazole
CID 19038103
5-Methyl-3-(1-methylpiperidin-4-yl)oxy-1,2-oxazole;hydrochloride
CID 19038122
5-Methyl-3-(1-methylpiperidin-4-yl)oxy-1,2-oxazole
CID 19038123
3-(1-Azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-oxazole;hydrochloride
CID 19038128
5-Methyl-3-piperidin-4-yloxy-1,2-oxazole;hydrochloride
CID 19038137
4-[(5-Methyl-1,2-oxazol-3-yl)oxy]piperidine
CID 19038138

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[3-(3-piperidin-1-ylpropoxy)-1,2-oxazol-5-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[3-(3-piperidin-1-ylpropoxy)-1,2-oxazol-5-yl]methyl]ethanamine (CID 11666530) is 2-methoxy-N-[[3-(3-piperidin-1-ylpropoxy)-1,2-oxazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[3-(3-piperidin-1-ylpropoxy)-1,2-oxazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[3-(3-piperidin-1-ylpropoxy)-1,2-oxazol-5-yl]methyl]ethanamine is COCCNCc1cc(OCCCN2CCCCC2)no1.
What is the InChIKey of 2-methoxy-N-[[3-(3-piperidin-1-ylpropoxy)-1,2-oxazol-5-yl]methyl]ethanamine?
The InChIKey is UUUVBWRORGAQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-19-11-6-16-13-14-12-15(17-21-14)20-10-5-9-18-7-3-2-4-8-18/h12,16H,2-11,13H2,1H3.
What are the key properties of 2-methoxy-N-[[3-(3-piperidin-1-ylpropoxy)-1,2-oxazol-5-yl]methyl]ethanamine?
2-methoxy-N-[[3-(3-piperidin-1-ylpropoxy)-1,2-oxazol-5-yl]methyl]ethanamine has a molecular weight of 297.40 g/mol, XLogP of 1.67, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[3-(3-piperidin-1-ylpropoxy)-1,2-oxazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 11666530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).