3-ethoxy-5-methyl-1,2-oxazole

C6H9NO2 — CID 11332469

IUPAC3-ethoxy-5-methyl-1,2-oxazole
SMILESCCOc1cc(C)on1
InChIInChI=1S/C6H9NO2/c1-3-8-6-4-5(2)9-7-6/h4H,3H2,1-2H3
InChIKeyHRISCQMXUCORQZ-UHFFFAOYSA-N
MW127.14 g/mol
LogP1.38
Rot. Bonds2

About 3-ethoxy-5-methyl-1,2-oxazole

3-ethoxy-5-methyl-1,2-oxazole (PubChem CID 11332469) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 3-ethoxy-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-ethoxy-5-methyl-1,2-oxazole
PubChem CID11332469
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name3-ethoxy-5-methyl-1,2-oxazole
SMILESCCOc1cc(C)on1
InChIInChI=1S/C6H9NO2/c1-3-8-6-4-5(2)9-7-6/h4H,3H2,1-2H3
InChIKeyHRISCQMXUCORQZ-UHFFFAOYSA-N
XLogP1.38
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-methyl-1,2-oxazole?
The IUPAC name of 3-ethoxy-5-methyl-1,2-oxazole (CID 11332469) is 3-ethoxy-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-ethoxy-5-methyl-1,2-oxazole?
The canonical SMILES for 3-ethoxy-5-methyl-1,2-oxazole is CCOc1cc(C)on1.
What is the InChIKey of 3-ethoxy-5-methyl-1,2-oxazole?
The InChIKey is HRISCQMXUCORQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-3-8-6-4-5(2)9-7-6/h4H,3H2,1-2H3.
What are the key properties of 3-ethoxy-5-methyl-1,2-oxazole?
3-ethoxy-5-methyl-1,2-oxazole has a molecular weight of 127.14 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-methyl-1,2-oxazole is sourced from PubChem (CID 11332469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).