3-(ethoxymethyl)-1,2-oxazole

C6H9NO2 — CID 59155008

IUPAC3-(ethoxymethyl)-1,2-oxazole
SMILESCCOCc1ccon1
InChIInChI=1S/C6H9NO2/c1-2-8-5-6-3-4-9-7-6/h3-4H,2,5H2,1H3
InChIKeySZBWMRSPUSHQLU-UHFFFAOYSA-N
MW127.14 g/mol
LogP1.21
Rot. Bonds3

About 3-(ethoxymethyl)-1,2-oxazole

3-(ethoxymethyl)-1,2-oxazole (PubChem CID 59155008) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 3-(ethoxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(ethoxymethyl)-1,2-oxazole
PubChem CID59155008
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name3-(ethoxymethyl)-1,2-oxazole
SMILESCCOCc1ccon1
InChIInChI=1S/C6H9NO2/c1-2-8-5-6-3-4-9-7-6/h3-4H,2,5H2,1H3
InChIKeySZBWMRSPUSHQLU-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 3-(ethoxymethyl)-1,2-oxazole?
The IUPAC name of 3-(ethoxymethyl)-1,2-oxazole (CID 59155008) is 3-(ethoxymethyl)-1,2-oxazole.
What is the SMILES notation for 3-(ethoxymethyl)-1,2-oxazole?
The canonical SMILES for 3-(ethoxymethyl)-1,2-oxazole is CCOCc1ccon1.
What is the InChIKey of 3-(ethoxymethyl)-1,2-oxazole?
The InChIKey is SZBWMRSPUSHQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-2-8-5-6-3-4-9-7-6/h3-4H,2,5H2,1H3.
What are the key properties of 3-(ethoxymethyl)-1,2-oxazole?
3-(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 3-(ethoxymethyl)-1,2-oxazole is sourced from PubChem (CID 59155008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).