methyl 5-(methoxymethyl)-1,2-oxazole-4-carboxylate

C7H9NO4 — CID 14787242

IUPACmethyl 5-(methoxymethyl)-1,2-oxazole-4-carboxylate
SMILESCOCc1oncc1C(=O)OC
InChIInChI=1S/C7H9NO4/c1-10-4-6-5(3-8-12-6)7(9)11-2/h3H,4H2,1-2H3
InChIKeyXZJBLUVKJLTTRN-UHFFFAOYSA-N
MW171.15 g/mol
LogP0.61
Rot. Bonds3

About methyl 5-(methoxymethyl)-1,2-oxazole-4-carboxylate

methyl 5-(methoxymethyl)-1,2-oxazole-4-carboxylate (PubChem CID 14787242) has the molecular formula C7H9NO4 and a molecular weight of 171.15 g/mol. Its IUPAC name is methyl 5-(methoxymethyl)-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(methoxymethyl)-1,2-oxazole-4-carboxylate
PubChem CID14787242
Molecular FormulaC7H9NO4
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Namemethyl 5-(methoxymethyl)-1,2-oxazole-4-carboxylate
SMILESCOCc1oncc1C(=O)OC
InChIInChI=1S/C7H9NO4/c1-10-4-6-5(3-8-12-6)7(9)11-2/h3H,4H2,1-2H3
InChIKeyXZJBLUVKJLTTRN-UHFFFAOYSA-N
XLogP0.61
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(methoxymethyl)-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 5-(methoxymethyl)-1,2-oxazole-4-carboxylate (CID 14787242) is methyl 5-(methoxymethyl)-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-(methoxymethyl)-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-(methoxymethyl)-1,2-oxazole-4-carboxylate is COCc1oncc1C(=O)OC.
What is the InChIKey of methyl 5-(methoxymethyl)-1,2-oxazole-4-carboxylate?
The InChIKey is XZJBLUVKJLTTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4/c1-10-4-6-5(3-8-12-6)7(9)11-2/h3H,4H2,1-2H3.
What are the key properties of methyl 5-(methoxymethyl)-1,2-oxazole-4-carboxylate?
methyl 5-(methoxymethyl)-1,2-oxazole-4-carboxylate has a molecular weight of 171.15 g/mol, XLogP of 0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(methoxymethyl)-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 14787242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).