5-(ethoxymethyl)-1,2-oxazole

C6H9NO2 — CID 59155311

IUPAC5-(ethoxymethyl)-1,2-oxazole
SMILESCCOCc1ccno1
InChIInChI=1S/C6H9NO2/c1-2-8-5-6-3-4-7-9-6/h3-4H,2,5H2,1H3
InChIKeyHHJZPSMCXNAEEP-UHFFFAOYSA-N
MW127.14 g/mol
LogP1.21
Rot. Bonds3

About 5-(ethoxymethyl)-1,2-oxazole

5-(ethoxymethyl)-1,2-oxazole (PubChem CID 59155311) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 5-(ethoxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(ethoxymethyl)-1,2-oxazole
PubChem CID59155311
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name5-(ethoxymethyl)-1,2-oxazole
SMILESCCOCc1ccno1
InChIInChI=1S/C6H9NO2/c1-2-8-5-6-3-4-7-9-6/h3-4H,2,5H2,1H3
InChIKeyHHJZPSMCXNAEEP-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 5-(ethoxymethyl)-1,2-oxazole?
The IUPAC name of 5-(ethoxymethyl)-1,2-oxazole (CID 59155311) is 5-(ethoxymethyl)-1,2-oxazole.
What is the SMILES notation for 5-(ethoxymethyl)-1,2-oxazole?
The canonical SMILES for 5-(ethoxymethyl)-1,2-oxazole is CCOCc1ccno1.
What is the InChIKey of 5-(ethoxymethyl)-1,2-oxazole?
The InChIKey is HHJZPSMCXNAEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-2-8-5-6-3-4-7-9-6/h3-4H,2,5H2,1H3.
What are the key properties of 5-(ethoxymethyl)-1,2-oxazole?
5-(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 5-(ethoxymethyl)-1,2-oxazole is sourced from PubChem (CID 59155311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).