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

C6H6N2O4 — CID 12793482

IUPAC4-carbamoyl-3-methyl-1,2-oxazole-5-carboxylic acid
SMILESCc1noc(C(=O)O)c1C(N)=O
InChIInChI=1S/C6H6N2O4/c1-2-3(5(7)9)4(6(10)11)12-8-2/h1H3,(H2,7,9)(H,10,11)
InChIKeyXPIKFMNNHKEISP-UHFFFAOYSA-N
MW170.12 g/mol
LogP-0.22
Rot. Bonds2

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

4-carbamoyl-3-methyl-1,2-oxazole-5-carboxylic acid (PubChem CID 12793482) has the molecular formula C6H6N2O4 and a molecular weight of 170.12 g/mol. Its IUPAC name is 4-carbamoyl-3-methyl-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-carbamoyl-3-methyl-1,2-oxazole-5-carboxylic acid
PubChem CID12793482
Molecular FormulaC6H6N2O4
Molecular Weight170.12 g/mol
Exact Mass170.03
IUPAC Name4-carbamoyl-3-methyl-1,2-oxazole-5-carboxylic acid
SMILESCc1noc(C(=O)O)c1C(N)=O
InChIInChI=1S/C6H6N2O4/c1-2-3(5(7)9)4(6(10)11)12-8-2/h1H3,(H2,7,9)(H,10,11)
InChIKeyXPIKFMNNHKEISP-UHFFFAOYSA-N
XLogP-0.22
TPSA106.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-carbamoyl-3-methyl-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 4-carbamoyl-3-methyl-1,2-oxazole-5-carboxylic acid (CID 12793482) is 4-carbamoyl-3-methyl-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-carbamoyl-3-methyl-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 4-carbamoyl-3-methyl-1,2-oxazole-5-carboxylic acid is Cc1noc(C(=O)O)c1C(N)=O.
What is the InChIKey of 4-carbamoyl-3-methyl-1,2-oxazole-5-carboxylic acid?
The InChIKey is XPIKFMNNHKEISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O4/c1-2-3(5(7)9)4(6(10)11)12-8-2/h1H3,(H2,7,9)(H,10,11).
What are the key properties of 4-carbamoyl-3-methyl-1,2-oxazole-5-carboxylic acid?
4-carbamoyl-3-methyl-1,2-oxazole-5-carboxylic acid has a molecular weight of 170.12 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamoyl-3-methyl-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 12793482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).