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

C15H20N2O3 — CID 62443165

IUPACN-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(COc2cccc(OCC)c2)on1
InChIInChI=1S/C15H20N2O3/c1-3-16-10-12-8-15(20-17-12)11-19-14-7-5-6-13(9-14)18-4-2/h5-9,16H,3-4,10-11H2,1-2H3
InChIKeyIUVNRACXSUUZSW-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.76
Rot. Bonds8

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

N-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine (PubChem CID 62443165) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
PubChem CID62443165
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(COc2cccc(OCC)c2)on1
InChIInChI=1S/C15H20N2O3/c1-3-16-10-12-8-15(20-17-12)11-19-14-7-5-6-13(9-14)18-4-2/h5-9,16H,3-4,10-11H2,1-2H3
InChIKeyIUVNRACXSUUZSW-UHFFFAOYSA-N
XLogP2.76
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-[(3-ethylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62450321
N-[[5-[[3-(methoxymethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 63985026
N-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62440455
N-[[5-[(4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62453644
N-[[5-[(3,5-difluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62783622
N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62459222
N-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 62486332
N-[[5-[(3-chlorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 62460276
N-[[4-[(3-ethoxyphenoxy)methyl]phenyl]methyl]ethanamine
CID 62442576
1-[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62459221
N-[[5-(2-ethoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 62444889
N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 62459392

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine (CID 62443165) is N-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine is CCNCc1cc(COc2cccc(OCC)c2)on1.
What is the InChIKey of N-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The InChIKey is IUVNRACXSUUZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-16-10-12-8-15(20-17-12)11-19-14-7-5-6-13(9-14)18-4-2/h5-9,16H,3-4,10-11H2,1-2H3.
What are the key properties of N-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
N-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine has a molecular weight of 276.34 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 62443165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).