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

C6H11NO2 — CID 22922821

IUPAC2-(2-methoxyethyl)-4,5-dihydro-1,3-oxazole
SMILESCOCCC1=NCCO1
InChIInChI=1S/C6H11NO2/c1-8-4-2-6-7-3-5-9-6/h2-5H2,1H3
InChIKeyBHZDJGWEZPFVCB-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.45
Rot. Bonds3

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

2-(2-methoxyethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 22922821) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2-methoxyethyl)-4,5-dihydro-1,3-oxazole
PubChem CID22922821
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name2-(2-methoxyethyl)-4,5-dihydro-1,3-oxazole
SMILESCOCCC1=NCCO1
InChIInChI=1S/C6H11NO2/c1-8-4-2-6-7-3-5-9-6/h2-5H2,1H3
InChIKeyBHZDJGWEZPFVCB-UHFFFAOYSA-N
XLogP0.45
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2-methoxyethyl)-4,5-dihydro-1,3-oxazole (CID 22922821) is 2-(2-methoxyethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2-methoxyethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2-methoxyethyl)-4,5-dihydro-1,3-oxazole is COCCC1=NCCO1.
What is the InChIKey of 2-(2-methoxyethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is BHZDJGWEZPFVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-8-4-2-6-7-3-5-9-6/h2-5H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-4,5-dihydro-1,3-oxazole?
2-(2-methoxyethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 129.16 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 22922821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).