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

C10H14N2O4 — CID 15692980

IUPAC5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylic acid
SMILESCCN(CC)C(=O)c1onc(C)c1C(=O)O
InChIInChI=1S/C10H14N2O4/c1-4-12(5-2)9(13)8-7(10(14)15)6(3)11-16-8/h4-5H2,1-3H3,(H,14,15)
InChIKeyCLHCRUVOKBFIJO-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.16
Rot. Bonds4

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

5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylic acid (PubChem CID 15692980) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylic acid
PubChem CID15692980
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylic acid
SMILESCCN(CC)C(=O)c1onc(C)c1C(=O)O
InChIInChI=1S/C10H14N2O4/c1-4-12(5-2)9(13)8-7(10(14)15)6(3)11-16-8/h4-5H2,1-3H3,(H,14,15)
InChIKeyCLHCRUVOKBFIJO-UHFFFAOYSA-N
XLogP1.16
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylic acid (CID 15692980) is 5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylic acid is CCN(CC)C(=O)c1onc(C)c1C(=O)O.
What is the InChIKey of 5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is CLHCRUVOKBFIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-4-12(5-2)9(13)8-7(10(14)15)6(3)11-16-8/h4-5H2,1-3H3,(H,14,15).
What are the key properties of 5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylic acid?
5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 226.23 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 15692980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).