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

C12H22N2O3 — CID 113463232

IUPAC2,2-diethoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine
SMILESCCOC(CNC(C)c1ncc(C)o1)OCC
InChIInChI=1S/C12H22N2O3/c1-5-15-11(16-6-2)8-13-10(4)12-14-7-9(3)17-12/h7,10-11,13H,5-6,8H2,1-4H3
InChIKeySVMZOKSXWGVMFS-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.03
Rot. Bonds8

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

2,2-diethoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine (PubChem CID 113463232) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2,2-diethoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2-diethoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine
PubChem CID113463232
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2,2-diethoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine
SMILESCCOC(CNC(C)c1ncc(C)o1)OCC
InChIInChI=1S/C12H22N2O3/c1-5-15-11(16-6-2)8-13-10(4)12-14-7-9(3)17-12/h7,10-11,13H,5-6,8H2,1-4H3
InChIKeySVMZOKSXWGVMFS-UHFFFAOYSA-N
XLogP2.03
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]propan-2-ol
CID 104579718
N-(2-methoxyethyl)-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893402
N'-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 106388030
3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]pentan-3-ol
CID 104579761
N',N'-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethane-1,2-diamine
CID 104579639
3,3,3-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine
CID 103893751
1-(5-methyl-1,3-oxazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 104579884
N-[(3-ethoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893548
1-(5-methyl-1,3-oxazol-2-yl)-N-(2-methylsulfonylethyl)ethanamine
CID 106388143
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pent-3-yn-1-amine
CID 104764634
N-[(3,5-dimethylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 113365423
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 103893723

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine?
The IUPAC name of 2,2-diethoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine (CID 113463232) is 2,2-diethoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine.
What is the SMILES notation for 2,2-diethoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine?
The canonical SMILES for 2,2-diethoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine is CCOC(CNC(C)c1ncc(C)o1)OCC.
What is the InChIKey of 2,2-diethoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine?
The InChIKey is SVMZOKSXWGVMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-5-15-11(16-6-2)8-13-10(4)12-14-7-9(3)17-12/h7,10-11,13H,5-6,8H2,1-4H3.
What are the key properties of 2,2-diethoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine?
2,2-diethoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine has a molecular weight of 242.32 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine is sourced from PubChem (CID 113463232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).