2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide

C17H17N5O3S — CID 135794457

About 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide

2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 135794457) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
• PubChem CID: 135794457
• Molecular Formula: C17H17N5O3S
• Molecular Weight: 371.42 g/mol
• Exact Mass: 371.11
• IUPAC Name: 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
• SMILES: CCCc1cc(=O)[nH]c(SCC(=O)Nc2nnc(-c3ccccc3)o2)n1
• InChI: InChI=1S/C17H17N5O3S/c1-2-6-12-9-13(23)20-17(18-12)26-10-14(24)19-16-22-21-15(25-16)11-7-4-3-5-8-11/h3-5,7-9H,2,6,10H2,1H3,(H,18,20,23)(H,19,22,24)
• InChIKey: ALURKLQXJOAJPQ-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 113.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.42
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide?

The IUPAC name of 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide (CID 135794457) is 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide.

What is the SMILES notation for 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide?

The canonical SMILES for 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide is CCCc1cc(=O)[nH]c(SCC(=O)Nc2nnc(-c3ccccc3)o2)n1.

What is the InChIKey of 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide?

The InChIKey is ALURKLQXJOAJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c1-2-6-12-9-13(23)20-17(18-12)26-10-14(24)19-16-22-21-15(25-16)11-7-4-3-5-8-11/h3-5,7-9H,2,6,10H2,1H3,(H,18,20,23)(H,19,22,24).

What are the key properties of 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide?

2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 371.42 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 135794457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).