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

C5H7NO2 — CID 11768539

IUPAC3-methoxy-5-methyl-1,2-oxazole
SMILESCOc1cc(C)on1
InChIInChI=1S/C5H7NO2/c1-4-3-5(7-2)6-8-4/h3H,1-2H3
InChIKeyCCCGZCQYXYLDIH-UHFFFAOYSA-N
MW113.12 g/mol
LogP0.99
Rot. Bonds1

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

3-methoxy-5-methyl-1,2-oxazole (PubChem CID 11768539) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is 3-methoxy-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-methoxy-5-methyl-1,2-oxazole
PubChem CID11768539
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name3-methoxy-5-methyl-1,2-oxazole
SMILESCOc1cc(C)on1
InChIInChI=1S/C5H7NO2/c1-4-3-5(7-2)6-8-4/h3H,1-2H3
InChIKeyCCCGZCQYXYLDIH-UHFFFAOYSA-N
XLogP0.99
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-methyl-1,2-oxazole?
The IUPAC name of 3-methoxy-5-methyl-1,2-oxazole (CID 11768539) is 3-methoxy-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-methoxy-5-methyl-1,2-oxazole?
The canonical SMILES for 3-methoxy-5-methyl-1,2-oxazole is COc1cc(C)on1.
What is the InChIKey of 3-methoxy-5-methyl-1,2-oxazole?
The InChIKey is CCCGZCQYXYLDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2/c1-4-3-5(7-2)6-8-4/h3H,1-2H3.
What are the key properties of 3-methoxy-5-methyl-1,2-oxazole?
3-methoxy-5-methyl-1,2-oxazole has a molecular weight of 113.12 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-methyl-1,2-oxazole is sourced from PubChem (CID 11768539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).