(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoate

C20H16ClN3O4S — CID 51111929

About (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoate

(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoate (PubChem CID 51111929) has the molecular formula C20H16ClN3O4S and a molecular weight of 429.89 g/mol. Its IUPAC name is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoate.

Molecular Properties

• Compound Name: (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoate
• PubChem CID: 51111929
• Molecular Formula: C20H16ClN3O4S
• Molecular Weight: 429.89 g/mol
• Exact Mass: 429.06
• IUPAC Name: (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoate
• SMILES: Cc1csc2nc(COC(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)cc(=O)n12
• InChI: InChI=1S/C20H16ClN3O4S/c1-12-11-29-20-23-15(8-18(25)24(12)20)10-27-19(26)7-6-17-22-9-16(28-17)13-2-4-14(21)5-3-13/h2-5,8-9,11H,6-7,10H2,1H3
• InChIKey: GEMAUMBISWGXGE-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 86.70 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.89
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoate?

The IUPAC name of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoate (CID 51111929) is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoate.

What is the SMILES notation for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoate?

The canonical SMILES for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoate is Cc1csc2nc(COC(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)cc(=O)n12.

What is the InChIKey of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoate?

The InChIKey is GEMAUMBISWGXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O4S/c1-12-11-29-20-23-15(8-18(25)24(12)20)10-27-19(26)7-6-17-22-9-16(28-17)13-2-4-14(21)5-3-13/h2-5,8-9,11H,6-7,10H2,1H3.

What are the key properties of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoate?

(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoate has a molecular weight of 429.89 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoate is sourced from PubChem (CID 51111929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).