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

C9H16N2O2 — CID 106372226

IUPAC2-ethoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCCOCCNCc1ncc(C)o1
InChIInChI=1S/C9H16N2O2/c1-3-12-5-4-10-7-9-11-6-8(2)13-9/h6,10H,3-5,7H2,1-2H3
InChIKeySBPOUKPDFAYBCV-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.11
Rot. Bonds6

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

2-ethoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine (PubChem CID 106372226) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-ethoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
PubChem CID106372226
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-ethoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCCOCCNCc1ncc(C)o1
InChIInChI=1S/C9H16N2O2/c1-3-12-5-4-10-7-9-11-6-8(2)13-9/h6,10H,3-5,7H2,1-2H3
InChIKeySBPOUKPDFAYBCV-UHFFFAOYSA-N
XLogP1.11
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.11
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

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propoxyethanamine
CID 106372348
2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 65181879
3-(2-methoxyethoxy)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine
CID 106372373
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]-2-(4-nitrophenoxy)ethanamine
CID 106372327
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-pyridin-4-ylethanamine
CID 106372261
2-ethoxy-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62759622
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetic acid
CID 106372016
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenylmethanamine
CID 103738795
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 106372168
1-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-octoxypropan-2-ol
CID 106371765

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-ethoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine (CID 106372226) is 2-ethoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-ethoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-ethoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine is CCOCCNCc1ncc(C)o1.
What is the InChIKey of 2-ethoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine?
The InChIKey is SBPOUKPDFAYBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-12-5-4-10-7-9-11-6-8(2)13-9/h6,10H,3-5,7H2,1-2H3.
What are the key properties of 2-ethoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine?
2-ethoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine has a molecular weight of 184.24 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 106372226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).