4-(ethoxymethyl)-1,2-oxazole

C6H9NO2 — CID 170731182

IUPAC4-(ethoxymethyl)-1,2-oxazole
SMILESCCOCc1cnoc1
InChIInChI=1S/C6H9NO2/c1-2-8-4-6-3-7-9-5-6/h3,5H,2,4H2,1H3
InChIKeyZTKZRNBFOMCXSL-UHFFFAOYSA-N
MW127.14 g/mol
LogP1.21
Rot. Bonds3

About 4-(ethoxymethyl)-1,2-oxazole

4-(ethoxymethyl)-1,2-oxazole (PubChem CID 170731182) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 4-(ethoxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(ethoxymethyl)-1,2-oxazole
PubChem CID170731182
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name4-(ethoxymethyl)-1,2-oxazole
SMILESCCOCc1cnoc1
InChIInChI=1S/C6H9NO2/c1-2-8-4-6-3-7-9-5-6/h3,5H,2,4H2,1H3
InChIKeyZTKZRNBFOMCXSL-UHFFFAOYSA-N
XLogP1.21
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-1,2-oxazole?
The IUPAC name of 4-(ethoxymethyl)-1,2-oxazole (CID 170731182) is 4-(ethoxymethyl)-1,2-oxazole.
What is the SMILES notation for 4-(ethoxymethyl)-1,2-oxazole?
The canonical SMILES for 4-(ethoxymethyl)-1,2-oxazole is CCOCc1cnoc1.
What is the InChIKey of 4-(ethoxymethyl)-1,2-oxazole?
The InChIKey is ZTKZRNBFOMCXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-2-8-4-6-3-7-9-5-6/h3,5H,2,4H2,1H3.
What are the key properties of 4-(ethoxymethyl)-1,2-oxazole?
4-(ethoxymethyl)-1,2-oxazole has a molecular weight of 127.14 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-1,2-oxazole is sourced from PubChem (CID 170731182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).