N-ethyl-2-(1,2-oxazol-5-ylmethoxy)ethanamine

C8H14N2O2 — CID 62337218

IUPACN-ethyl-2-(1,2-oxazol-5-ylmethoxy)ethanamine
SMILESCCNCCOCc1ccno1
InChIInChI=1S/C8H14N2O2/c1-2-9-5-6-11-7-8-3-4-10-12-8/h3-4,9H,2,5-7H2,1H3
InChIKeyQNJQRSRFJARINJ-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.80
Rot. Bonds6

About N-ethyl-2-(1,2-oxazol-5-ylmethoxy)ethanamine

N-ethyl-2-(1,2-oxazol-5-ylmethoxy)ethanamine (PubChem CID 62337218) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is N-ethyl-2-(1,2-oxazol-5-ylmethoxy)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1,2-oxazol-5-ylmethoxy)ethanamine
PubChem CID62337218
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC NameN-ethyl-2-(1,2-oxazol-5-ylmethoxy)ethanamine
SMILESCCNCCOCc1ccno1
InChIInChI=1S/C8H14N2O2/c1-2-9-5-6-11-7-8-3-4-10-12-8/h3-4,9H,2,5-7H2,1H3
InChIKeyQNJQRSRFJARINJ-UHFFFAOYSA-N
XLogP0.80
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.80
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1,2-oxazol-5-ylmethoxy)ethanamine?
The IUPAC name of N-ethyl-2-(1,2-oxazol-5-ylmethoxy)ethanamine (CID 62337218) is N-ethyl-2-(1,2-oxazol-5-ylmethoxy)ethanamine.
What is the SMILES notation for N-ethyl-2-(1,2-oxazol-5-ylmethoxy)ethanamine?
The canonical SMILES for N-ethyl-2-(1,2-oxazol-5-ylmethoxy)ethanamine is CCNCCOCc1ccno1.
What is the InChIKey of N-ethyl-2-(1,2-oxazol-5-ylmethoxy)ethanamine?
The InChIKey is QNJQRSRFJARINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-2-9-5-6-11-7-8-3-4-10-12-8/h3-4,9H,2,5-7H2,1H3.
What are the key properties of N-ethyl-2-(1,2-oxazol-5-ylmethoxy)ethanamine?
N-ethyl-2-(1,2-oxazol-5-ylmethoxy)ethanamine has a molecular weight of 170.21 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1,2-oxazol-5-ylmethoxy)ethanamine is sourced from PubChem (CID 62337218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).