N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine

C13H25N3O3 — CID 82953140

IUPACN-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
SMILESCCOCCN(CCOCC)Cc1cc(CN)no1
InChIInChI=1S/C13H25N3O3/c1-3-17-7-5-16(6-8-18-4-2)11-13-9-12(10-14)15-19-13/h9H,3-8,10-11,14H2,1-2H3
InChIKeyJOBBQKJAUFHMSD-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.01
Rot. Bonds11

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

N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine (PubChem CID 82953140) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
PubChem CID82953140
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC NameN-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
SMILESCCOCCN(CCOCC)Cc1cc(CN)no1
InChIInChI=1S/C13H25N3O3/c1-3-17-7-5-16(6-8-18-4-2)11-13-9-12(10-14)15-19-13/h9H,3-8,10-11,14H2,1-2H3
InChIKeyJOBBQKJAUFHMSD-UHFFFAOYSA-N
XLogP1.01
TPSA73.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.01
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

N-[[5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 63691252
N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
CID 82952579
N-[[5-[[2-ethoxyethyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 81067481
(5-ethyl-1,2-oxazol-3-yl)methanamine
CID 23006259
N-[[5-[[2-ethoxyethyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 81067715
N-[[5-[[bis(2-methoxyethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62462478
(5-ethyl-1,2-oxazol-3-yl)methanamine;hydrochloride
CID 70789245
N-[[5-(aminomethyl)thiophen-2-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
CID 107557366
N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-ethylcyclopropanamine
CID 62422956
N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-butylcyclopropanamine
CID 62430564
N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-butan-2-ylbutan-1-amine
CID 62412799
N-[[5-[[ethyl(2-methoxyethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 55072609

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine?
The IUPAC name of N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine (CID 82953140) is N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine.
What is the SMILES notation for N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine?
The canonical SMILES for N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine is CCOCCN(CCOCC)Cc1cc(CN)no1.
What is the InChIKey of N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine?
The InChIKey is JOBBQKJAUFHMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-3-17-7-5-16(6-8-18-4-2)11-13-9-12(10-14)15-19-13/h9H,3-8,10-11,14H2,1-2H3.
What are the key properties of N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine?
N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine has a molecular weight of 271.36 g/mol, XLogP of 1.01, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine is sourced from PubChem (CID 82953140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).