3-(4-methyl-1,2-oxazole-5-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid

C12H16N2O4S — CID 66335399

About 3-(4-methyl-1,2-oxazole-5-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid

3-(4-methyl-1,2-oxazole-5-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 66335399) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-(4-methyl-1,2-oxazole-5-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

• Compound Name: 3-(4-methyl-1,2-oxazole-5-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
• PubChem CID: 66335399
• Molecular Formula: C12H16N2O4S
• Molecular Weight: 284.34 g/mol
• Exact Mass: 284.08
• IUPAC Name: 3-(4-methyl-1,2-oxazole-5-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
• SMILES: Cc1cnoc1C(=O)N1C(C(=O)O)CSC1C(C)C
• InChI: InChI=1S/C12H16N2O4S/c1-6(2)11-14(8(5-19-11)12(16)17)10(15)9-7(3)4-13-18-9/h4,6,8,11H,5H2,1-3H3,(H,16,17)
• InChIKey: GSFSVPYVVKCLCX-UHFFFAOYSA-N
• XLogP: 1.61
• TPSA: 83.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	284.34
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,2-oxazole-5-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?

The IUPAC name of 3-(4-methyl-1,2-oxazole-5-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (CID 66335399) is 3-(4-methyl-1,2-oxazole-5-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.

What is the SMILES notation for 3-(4-methyl-1,2-oxazole-5-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?

The canonical SMILES for 3-(4-methyl-1,2-oxazole-5-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is Cc1cnoc1C(=O)N1C(C(=O)O)CSC1C(C)C.

What is the InChIKey of 3-(4-methyl-1,2-oxazole-5-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?

The InChIKey is GSFSVPYVVKCLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-6(2)11-14(8(5-19-11)12(16)17)10(15)9-7(3)4-13-18-9/h4,6,8,11H,5H2,1-3H3,(H,16,17).

What are the key properties of 3-(4-methyl-1,2-oxazole-5-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?

3-(4-methyl-1,2-oxazole-5-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-methyl-1,2-oxazole-5-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 66335399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).