4-methyl-2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylic acid

C16H15N3O3S — CID 66643567

About 4-methyl-2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylic acid

4-methyl-2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 66643567) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 4-methyl-2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

• Compound Name: 4-methyl-2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylic acid
• PubChem CID: 66643567
• Molecular Formula: C16H15N3O3S
• Molecular Weight: 329.38 g/mol
• Exact Mass: 329.08
• IUPAC Name: 4-methyl-2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylic acid
• SMILES: Cc1nc(CCc2c(-c3ccccn3)noc2C)sc1C(=O)O
• InChI: InChI=1S/C16H15N3O3S/c1-9-15(16(20)21)23-13(18-9)7-6-11-10(2)22-19-14(11)12-5-3-4-8-17-12/h3-5,8H,6-7H2,1-2H3,(H,20,21)
• InChIKey: XEAQKLHGNIXETB-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 89.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.38
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylic acid?

The IUPAC name of 4-methyl-2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylic acid (CID 66643567) is 4-methyl-2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylic acid.

What is the SMILES notation for 4-methyl-2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylic acid?

The canonical SMILES for 4-methyl-2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylic acid is Cc1nc(CCc2c(-c3ccccn3)noc2C)sc1C(=O)O.

What is the InChIKey of 4-methyl-2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylic acid?

The InChIKey is XEAQKLHGNIXETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-9-15(16(20)21)23-13(18-9)7-6-11-10(2)22-19-14(11)12-5-3-4-8-17-12/h3-5,8H,6-7H2,1-2H3,(H,20,21).

What are the key properties of 4-methyl-2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylic acid?

4-methyl-2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 329.38 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 66643567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).