ethane;3-ethoxy-1,2-oxazole

C7H13NO2 — CID 143999353

IUPACethane;3-ethoxy-1,2-oxazole
SMILESCC.CCOc1ccon1
InChIInChI=1S/C5H7NO2.C2H6/c1-2-7-5-3-4-8-6-5;1-2/h3-4H,2H2,1H3;1-2H3
InChIKeyXKRSQUWQIVGVKD-UHFFFAOYSA-N
MW143.19 g/mol
LogP2.10
Rot. Bonds2

About ethane;3-ethoxy-1,2-oxazole

ethane;3-ethoxy-1,2-oxazole (PubChem CID 143999353) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is ethane;3-ethoxy-1,2-oxazole.

Molecular Properties

Compound Nameethane;3-ethoxy-1,2-oxazole
PubChem CID143999353
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Nameethane;3-ethoxy-1,2-oxazole
SMILESCC.CCOc1ccon1
InChIInChI=1S/C5H7NO2.C2H6/c1-2-7-5-3-4-8-6-5;1-2/h3-4H,2H2,1H3;1-2H3
InChIKeyXKRSQUWQIVGVKD-UHFFFAOYSA-N
XLogP2.10
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;3-ethoxy-1,2-oxazole?
The IUPAC name of ethane;3-ethoxy-1,2-oxazole (CID 143999353) is ethane;3-ethoxy-1,2-oxazole.
What is the SMILES notation for ethane;3-ethoxy-1,2-oxazole?
The canonical SMILES for ethane;3-ethoxy-1,2-oxazole is CC.CCOc1ccon1.
What is the InChIKey of ethane;3-ethoxy-1,2-oxazole?
The InChIKey is XKRSQUWQIVGVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2.C2H6/c1-2-7-5-3-4-8-6-5;1-2/h3-4H,2H2,1H3;1-2H3.
What are the key properties of ethane;3-ethoxy-1,2-oxazole?
ethane;3-ethoxy-1,2-oxazole has a molecular weight of 143.19 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethoxy-1,2-oxazole is sourced from PubChem (CID 143999353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).