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

C11H20N2O3 — CID 62444889

IUPACN-[[5-(2-ethoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(COCCOCC)on1
InChIInChI=1S/C11H20N2O3/c1-3-12-8-10-7-11(16-13-10)9-15-6-5-14-4-2/h7,12H,3-6,8-9H2,1-2H3
InChIKeyGCZHXIDMBOTMGM-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.34
Rot. Bonds9

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

N-[[5-(2-ethoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine (PubChem CID 62444889) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is N-[[5-(2-ethoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2-ethoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
PubChem CID62444889
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC NameN-[[5-(2-ethoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(COCCOCC)on1
InChIInChI=1S/C11H20N2O3/c1-3-12-8-10-7-11(16-13-10)9-15-6-5-14-4-2/h7,12H,3-6,8-9H2,1-2H3
InChIKeyGCZHXIDMBOTMGM-UHFFFAOYSA-N
XLogP1.34
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.34
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

N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 62452245
N-[[5-(furan-2-ylmethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 62444852
N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62455470
N-[[5-(pentoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 55077772
N-[[5-(ethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62444489
N-[[5-[(3,5-difluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62783622
N-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62443165
N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 102723198
N-[[5-(cycloheptyloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 55077039
N-[[5-[(3,4-dimethylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 64740326
2-methyl-N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62449512
N-[[5-[(4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62453644

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-ethoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2-ethoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine (CID 62444889) is N-[[5-(2-ethoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2-ethoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2-ethoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine is CCNCc1cc(COCCOCC)on1.
What is the InChIKey of N-[[5-(2-ethoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine?
The InChIKey is GCZHXIDMBOTMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-12-8-10-7-11(16-13-10)9-15-6-5-14-4-2/h7,12H,3-6,8-9H2,1-2H3.
What are the key properties of N-[[5-(2-ethoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine?
N-[[5-(2-ethoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine has a molecular weight of 228.29 g/mol, XLogP of 1.34, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-ethoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 62444889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).