(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate

C23H15N3O4S — CID 47009933

About (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate (PubChem CID 47009933) has the molecular formula C23H15N3O4S and a molecular weight of 429.46 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate.

Molecular Properties

• Compound Name: (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
• PubChem CID: 47009933
• Molecular Formula: C23H15N3O4S
• Molecular Weight: 429.46 g/mol
• Exact Mass: 429.08
• IUPAC Name: (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
• SMILES: O=C(OCc1cc(=O)n2ccsc2n1)c1ccccc1-c1ncc(-c2ccccc2)o1
• InChI: InChI=1S/C23H15N3O4S/c27-20-12-16(25-23-26(20)10-11-31-23)14-29-22(28)18-9-5-4-8-17(18)21-24-13-19(30-21)15-6-2-1-3-7-15/h1-13H,14H2
• InChIKey: SZKWVFRNNGALLP-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 86.70 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.46
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate (CID 47009933) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate.

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

The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate is O=C(OCc1cc(=O)n2ccsc2n1)c1ccccc1-c1ncc(-c2ccccc2)o1.

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

The InChIKey is SZKWVFRNNGALLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O4S/c27-20-12-16(25-23-26(20)10-11-31-23)14-29-22(28)18-9-5-4-8-17(18)21-24-13-19(30-21)15-6-2-1-3-7-15/h1-13H,14H2.

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

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate has a molecular weight of 429.46 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate is sourced from PubChem (CID 47009933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).