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

C8H14N2O2 — CID 65181879

IUPAC2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCOCCNCc1ncc(C)o1
InChIInChI=1S/C8H14N2O2/c1-7-5-10-8(12-7)6-9-3-4-11-2/h5,9H,3-4,6H2,1-2H3
InChIKeyXSYFWYUFXIWAKE-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.72
Rot. Bonds5

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

2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine (PubChem CID 65181879) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
PubChem CID65181879
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCOCCNCc1ncc(C)o1
InChIInChI=1S/C8H14N2O2/c1-7-5-10-8(12-7)6-9-3-4-11-2/h5,9H,3-4,6H2,1-2H3
InChIKeyXSYFWYUFXIWAKE-UHFFFAOYSA-N
XLogP0.72
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-methoxyethoxy)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine
CID 106372373
2-ethoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 106372226
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propoxyethanamine
CID 106372348
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methoxyethanamine
CID 60765583
2-methoxy-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65181973
3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-1-ol
CID 106371738
2-methoxy-N-[[5-(2,2,3,3-tetramethylcyclopropyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 66478464
1-cyclopropyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275583
N-[[5-(2-fluoro-3-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
CID 81478772
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(4-nitrophenoxy)ethanamine
CID 106372327
N-[[5-(3,5-dibromophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
CID 107975815
2-methoxy-N-[[5-(3-methoxybutyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 113382250

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine (CID 65181879) is 2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine is COCCNCc1ncc(C)o1.
What is the InChIKey of 2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine?
The InChIKey is XSYFWYUFXIWAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-7-5-10-8(12-7)6-9-3-4-11-2/h5,9H,3-4,6H2,1-2H3.
What are the key properties of 2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine?
2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine has a molecular weight of 170.21 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 65181879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).