3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]-1,2-oxazole-5-carboxylic acid

C11H11N3O4S — CID 107369479

About 3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]-1,2-oxazole-5-carboxylic acid

3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 107369479) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is 3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

• Compound Name: 3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]-1,2-oxazole-5-carboxylic acid
• PubChem CID: 107369479
• Molecular Formula: C11H11N3O4S
• Molecular Weight: 281.29 g/mol
• Exact Mass: 281.05
• IUPAC Name: 3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]-1,2-oxazole-5-carboxylic acid
• SMILES: Cc1nc(CN(C)C(=O)c2cc(C(=O)O)on2)cs1
• InChI: InChI=1S/C11H11N3O4S/c1-6-12-7(5-19-6)4-14(2)10(15)8-3-9(11(16)17)18-13-8/h3,5H,4H2,1-2H3,(H,16,17)
• InChIKey: WAZNXFQZHMEZPQ-UHFFFAOYSA-N
• XLogP: 1.41
• TPSA: 96.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	281.29
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]-1,2-oxazole-5-carboxylic acid?

The IUPAC name of 3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]-1,2-oxazole-5-carboxylic acid (CID 107369479) is 3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]-1,2-oxazole-5-carboxylic acid.

What is the SMILES notation for 3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]-1,2-oxazole-5-carboxylic acid?

The canonical SMILES for 3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]-1,2-oxazole-5-carboxylic acid is Cc1nc(CN(C)C(=O)c2cc(C(=O)O)on2)cs1.

What is the InChIKey of 3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]-1,2-oxazole-5-carboxylic acid?

The InChIKey is WAZNXFQZHMEZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S/c1-6-12-7(5-19-6)4-14(2)10(15)8-3-9(11(16)17)18-13-8/h3,5H,4H2,1-2H3,(H,16,17).

What are the key properties of 3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]-1,2-oxazole-5-carboxylic acid?

3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 281.29 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).