5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-oxazole-4-carboxylic acid

C8H9NO5 — CID 67510884

IUPAC5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-oxazole-4-carboxylic acid
SMILESCOC(=O)Cc1oc(C)nc1C(=O)O
InChIInChI=1S/C8H9NO5/c1-4-9-7(8(11)12)5(14-4)3-6(10)13-2/h3H2,1-2H3,(H,11,12)
InChIKeySTPHYBVFQJYJIR-UHFFFAOYSA-N
MW199.16 g/mol
LogP0.40
Rot. Bonds3

About 5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-oxazole-4-carboxylic acid

5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-oxazole-4-carboxylic acid (PubChem CID 67510884) has the molecular formula C8H9NO5 and a molecular weight of 199.16 g/mol. Its IUPAC name is 5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-oxazole-4-carboxylic acid
PubChem CID67510884
Molecular FormulaC8H9NO5
Molecular Weight199.16 g/mol
Exact Mass199.05
IUPAC Name5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-oxazole-4-carboxylic acid
SMILESCOC(=O)Cc1oc(C)nc1C(=O)O
InChIInChI=1S/C8H9NO5/c1-4-9-7(8(11)12)5(14-4)3-6(10)13-2/h3H2,1-2H3,(H,11,12)
InChIKeySTPHYBVFQJYJIR-UHFFFAOYSA-N
XLogP0.40
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-oxazole-4-carboxylic acid (CID 67510884) is 5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-oxazole-4-carboxylic acid is COC(=O)Cc1oc(C)nc1C(=O)O.
What is the InChIKey of 5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is STPHYBVFQJYJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO5/c1-4-9-7(8(11)12)5(14-4)3-6(10)13-2/h3H2,1-2H3,(H,11,12).
What are the key properties of 5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-oxazole-4-carboxylic acid?
5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-oxazole-4-carboxylic acid has a molecular weight of 199.16 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-2-oxoethyl)-2-methyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 67510884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).