5-carbamoyl-5-methyl-4H-1,2-oxazole-3-carboxylic acid

C6H8N2O4 — CID 117274241

IUPAC5-carbamoyl-5-methyl-4H-1,2-oxazole-3-carboxylic acid
SMILESCC1(C(N)=O)CC(C(=O)O)=NO1
InChIInChI=1S/C6H8N2O4/c1-6(5(7)11)2-3(4(9)10)8-12-6/h2H2,1H3,(H2,7,11)(H,9,10)
InChIKeyCIOHTZUTKJGDBY-UHFFFAOYSA-N
MW172.14 g/mol
LogP-0.91
Rot. Bonds2

About 5-carbamoyl-5-methyl-4H-1,2-oxazole-3-carboxylic acid

5-carbamoyl-5-methyl-4H-1,2-oxazole-3-carboxylic acid (PubChem CID 117274241) has the molecular formula C6H8N2O4 and a molecular weight of 172.14 g/mol. Its IUPAC name is 5-carbamoyl-5-methyl-4H-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-carbamoyl-5-methyl-4H-1,2-oxazole-3-carboxylic acid
PubChem CID117274241
Molecular FormulaC6H8N2O4
Molecular Weight172.14 g/mol
Exact Mass172.05
IUPAC Name5-carbamoyl-5-methyl-4H-1,2-oxazole-3-carboxylic acid
SMILESCC1(C(N)=O)CC(C(=O)O)=NO1
InChIInChI=1S/C6H8N2O4/c1-6(5(7)11)2-3(4(9)10)8-12-6/h2H2,1H3,(H2,7,11)(H,9,10)
InChIKeyCIOHTZUTKJGDBY-UHFFFAOYSA-N
XLogP-0.91
TPSA101.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-carbamoyl-5-methyl-4H-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-carbamoyl-5-methyl-4H-1,2-oxazole-3-carboxylic acid (CID 117274241) is 5-carbamoyl-5-methyl-4H-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-carbamoyl-5-methyl-4H-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-carbamoyl-5-methyl-4H-1,2-oxazole-3-carboxylic acid is CC1(C(N)=O)CC(C(=O)O)=NO1.
What is the InChIKey of 5-carbamoyl-5-methyl-4H-1,2-oxazole-3-carboxylic acid?
The InChIKey is CIOHTZUTKJGDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4/c1-6(5(7)11)2-3(4(9)10)8-12-6/h2H2,1H3,(H2,7,11)(H,9,10).
What are the key properties of 5-carbamoyl-5-methyl-4H-1,2-oxazole-3-carboxylic acid?
5-carbamoyl-5-methyl-4H-1,2-oxazole-3-carboxylic acid has a molecular weight of 172.14 g/mol, XLogP of -0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamoyl-5-methyl-4H-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117274241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).