3-(2-methoxyethoxy)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine

C11H20N2O3 — CID 106372373

IUPAC3-(2-methoxyethoxy)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine
SMILESCOCCOCCCNCc1ncc(C)o1
InChIInChI=1S/C11H20N2O3/c1-10-8-13-11(16-10)9-12-4-3-5-15-7-6-14-2/h8,12H,3-7,9H2,1-2H3
InChIKeyCOMXRCLJMGUFQQ-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.13
Rot. Bonds9

About 3-(2-methoxyethoxy)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine

3-(2-methoxyethoxy)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine (PubChem CID 106372373) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine
PubChem CID106372373
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-(2-methoxyethoxy)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine
SMILESCOCCOCCCNCc1ncc(C)o1
InChIInChI=1S/C11H20N2O3/c1-10-8-13-11(16-10)9-12-4-3-5-15-7-6-14-2/h8,12H,3-7,9H2,1-2H3
InChIKeyCOMXRCLJMGUFQQ-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
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

2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 65181879
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propoxyethanamine
CID 106372348
2-ethoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 106372226
3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-1-ol
CID 106371738
1-cyclopropyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275583
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 106372168
3-(2-methoxyethoxy)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 62999936
3-(2-methoxyethoxy)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 28720665
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methoxyethanamine
CID 60765583
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 106372748
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(4-nitrophenoxy)ethanamine
CID 106372327
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetic acid
CID 106372016

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-(2-methoxyethoxy)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine (CID 106372373) is 3-(2-methoxyethoxy)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-(2-methoxyethoxy)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-(2-methoxyethoxy)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine is COCCOCCCNCc1ncc(C)o1.
What is the InChIKey of 3-(2-methoxyethoxy)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine?
The InChIKey is COMXRCLJMGUFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-10-8-13-11(16-10)9-12-4-3-5-15-7-6-14-2/h8,12H,3-7,9H2,1-2H3.
What are the key properties of 3-(2-methoxyethoxy)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine?
3-(2-methoxyethoxy)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine has a molecular weight of 228.29 g/mol, XLogP of 1.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 106372373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).