4-ethyl-2-methyl-1,3-oxazole

C6H9NO — CID 525785

IUPAC4-ethyl-2-methyl-1,3-oxazole
SMILESCCc1coc(C)n1
InChIInChI=1S/C6H9NO/c1-3-6-4-8-5(2)7-6/h4H,3H2,1-2H3
InChIKeyFLRAVPRRUDBVKJ-UHFFFAOYSA-N
MW111.14 g/mol
LogP1.55
Rot. Bonds1

About 4-ethyl-2-methyl-1,3-oxazole

4-ethyl-2-methyl-1,3-oxazole (PubChem CID 525785) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 4-ethyl-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-ethyl-2-methyl-1,3-oxazole
PubChem CID525785
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name4-ethyl-2-methyl-1,3-oxazole
SMILESCCc1coc(C)n1
InChIInChI=1S/C6H9NO/c1-3-6-4-8-5(2)7-6/h4H,3H2,1-2H3
InChIKeyFLRAVPRRUDBVKJ-UHFFFAOYSA-N
XLogP1.55
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-1,3-oxazole?
The IUPAC name of 4-ethyl-2-methyl-1,3-oxazole (CID 525785) is 4-ethyl-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-ethyl-2-methyl-1,3-oxazole?
The canonical SMILES for 4-ethyl-2-methyl-1,3-oxazole is CCc1coc(C)n1.
What is the InChIKey of 4-ethyl-2-methyl-1,3-oxazole?
The InChIKey is FLRAVPRRUDBVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-3-6-4-8-5(2)7-6/h4H,3H2,1-2H3.
What are the key properties of 4-ethyl-2-methyl-1,3-oxazole?
4-ethyl-2-methyl-1,3-oxazole has a molecular weight of 111.14 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-1,3-oxazole is sourced from PubChem (CID 525785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).