2-(2-ethoxyethyl)-4,5-dihydro-1,3-oxazole

C7H13NO2 — CID 70658276

IUPAC2-(2-ethoxyethyl)-4,5-dihydro-1,3-oxazole
SMILESCCOCCC1=NCCO1
InChIInChI=1S/C7H13NO2/c1-2-9-5-3-7-8-4-6-10-7/h2-6H2,1H3
InChIKeyDYUSKLREQQFZPB-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.84
Rot. Bonds4

About 2-(2-ethoxyethyl)-4,5-dihydro-1,3-oxazole

2-(2-ethoxyethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 70658276) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-4,5-dihydro-1,3-oxazole
PubChem CID70658276
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-(2-ethoxyethyl)-4,5-dihydro-1,3-oxazole
SMILESCCOCCC1=NCCO1
InChIInChI=1S/C7H13NO2/c1-2-9-5-3-7-8-4-6-10-7/h2-6H2,1H3
InChIKeyDYUSKLREQQFZPB-UHFFFAOYSA-N
XLogP0.84
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-(2-ethoxyethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2-ethoxyethyl)-4,5-dihydro-1,3-oxazole (CID 70658276) is 2-(2-ethoxyethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2-ethoxyethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2-ethoxyethyl)-4,5-dihydro-1,3-oxazole is CCOCCC1=NCCO1.
What is the InChIKey of 2-(2-ethoxyethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is DYUSKLREQQFZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-9-5-3-7-8-4-6-10-7/h2-6H2,1H3.
What are the key properties of 2-(2-ethoxyethyl)-4,5-dihydro-1,3-oxazole?
2-(2-ethoxyethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 143.19 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 70658276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).