methyl 5-methoxy-4-methyl-1,3-oxazole-2-carboxylate

C7H9NO4 — CID 84653987

IUPACmethyl 5-methoxy-4-methyl-1,3-oxazole-2-carboxylate
SMILESCOC(=O)c1nc(C)c(OC)o1
InChIInChI=1S/C7H9NO4/c1-4-7(11-3)12-5(8-4)6(9)10-2/h1-3H3
InChIKeyONGHDUMHFLKAII-UHFFFAOYSA-N
MW171.15 g/mol
LogP0.78
Rot. Bonds2

About methyl 5-methoxy-4-methyl-1,3-oxazole-2-carboxylate

methyl 5-methoxy-4-methyl-1,3-oxazole-2-carboxylate (PubChem CID 84653987) has the molecular formula C7H9NO4 and a molecular weight of 171.15 g/mol. Its IUPAC name is methyl 5-methoxy-4-methyl-1,3-oxazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methoxy-4-methyl-1,3-oxazole-2-carboxylate
PubChem CID84653987
Molecular FormulaC7H9NO4
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Namemethyl 5-methoxy-4-methyl-1,3-oxazole-2-carboxylate
SMILESCOC(=O)c1nc(C)c(OC)o1
InChIInChI=1S/C7H9NO4/c1-4-7(11-3)12-5(8-4)6(9)10-2/h1-3H3
InChIKeyONGHDUMHFLKAII-UHFFFAOYSA-N
XLogP0.78
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methoxy-4-methyl-1,3-oxazole-2-carboxylate?
The IUPAC name of methyl 5-methoxy-4-methyl-1,3-oxazole-2-carboxylate (CID 84653987) is methyl 5-methoxy-4-methyl-1,3-oxazole-2-carboxylate.
What is the SMILES notation for methyl 5-methoxy-4-methyl-1,3-oxazole-2-carboxylate?
The canonical SMILES for methyl 5-methoxy-4-methyl-1,3-oxazole-2-carboxylate is COC(=O)c1nc(C)c(OC)o1.
What is the InChIKey of methyl 5-methoxy-4-methyl-1,3-oxazole-2-carboxylate?
The InChIKey is ONGHDUMHFLKAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4/c1-4-7(11-3)12-5(8-4)6(9)10-2/h1-3H3.
What are the key properties of methyl 5-methoxy-4-methyl-1,3-oxazole-2-carboxylate?
methyl 5-methoxy-4-methyl-1,3-oxazole-2-carboxylate has a molecular weight of 171.15 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methoxy-4-methyl-1,3-oxazole-2-carboxylate is sourced from PubChem (CID 84653987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).