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

C6H6N2O4 — CID 12793483

IUPAC5-carbamoyl-3-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1noc(C(N)=O)c1C(=O)O
InChIInChI=1S/C6H6N2O4/c1-2-3(6(10)11)4(5(7)9)12-8-2/h1H3,(H2,7,9)(H,10,11)
InChIKeyXNDZOWYRPRQMHG-UHFFFAOYSA-N
MW170.12 g/mol
LogP-0.22
Rot. Bonds2

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

5-carbamoyl-3-methyl-1,2-oxazole-4-carboxylic acid (PubChem CID 12793483) has the molecular formula C6H6N2O4 and a molecular weight of 170.12 g/mol. Its IUPAC name is 5-carbamoyl-3-methyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-carbamoyl-3-methyl-1,2-oxazole-4-carboxylic acid
PubChem CID12793483
Molecular FormulaC6H6N2O4
Molecular Weight170.12 g/mol
Exact Mass170.03
IUPAC Name5-carbamoyl-3-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1noc(C(N)=O)c1C(=O)O
InChIInChI=1S/C6H6N2O4/c1-2-3(6(10)11)4(5(7)9)12-8-2/h1H3,(H2,7,9)(H,10,11)
InChIKeyXNDZOWYRPRQMHG-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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Related Compounds

3,5-Dimethylisoxazole-4-carboxylic acid
CID 75636
3-Tert-butylaminocarbonyl-5-methylisoxazole-4-carboxylic acid
CID 10513407
5-Methyl-3-(trifluoromethylcarbamoyl)-1,2-oxazole-4-carboxylic acid
CID 174534041
5-methyl-1,2-oxazole-3,4-dicarboxylic Acid
CID 5325763
4-Methoxycarbonyl-3-methyl-isoxazole-5-carboxylic acid
CID 5325770
3-Methylisoxazole-4,5-dicarboxylic acid
CID 5325771
5-Tert-butylaminocarbonyl-3-isopropylisoxazole-4-carboxylic acid
CID 14990281
5-Tert-butylaminocarbonyl-3-methylisoxazole-4-carboxylic acid
CID 15692972
5-Carbamoyl-3-(sulfanylmethyl)-1,2-oxazole-4-carboxylic acid
CID 90779127
4-Carbamoyl-3-methyl-1,2-oxazole-5-carboxylic acid
CID 12793482
Ethyl 5-carbamoyl-3-methyl-1,2-oxazole-4-carboxylate
CID 13593355
5-Piperidinocarbonyl-3-methyl-isoxazole-4-carboxylic acid
CID 15682565

Frequently Asked Questions

What is the IUPAC name of 5-carbamoyl-3-methyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-carbamoyl-3-methyl-1,2-oxazole-4-carboxylic acid (CID 12793483) is 5-carbamoyl-3-methyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-carbamoyl-3-methyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-carbamoyl-3-methyl-1,2-oxazole-4-carboxylic acid is Cc1noc(C(N)=O)c1C(=O)O.
What is the InChIKey of 5-carbamoyl-3-methyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is XNDZOWYRPRQMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O4/c1-2-3(6(10)11)4(5(7)9)12-8-2/h1H3,(H2,7,9)(H,10,11).
What are the key properties of 5-carbamoyl-3-methyl-1,2-oxazole-4-carboxylic acid?
5-carbamoyl-3-methyl-1,2-oxazole-4-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 5-carbamoyl-3-methyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 12793483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).