2-[[5-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide

C17H18FN5O4S — CID 74776583

About 2-[[5-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide

2-[[5-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 74776583) has the molecular formula C17H18FN5O4S and a molecular weight of 407.43 g/mol. Its IUPAC name is 2-[[5-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[[5-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
• PubChem CID: 74776583
• Molecular Formula: C17H18FN5O4S
• Molecular Weight: 407.43 g/mol
• Exact Mass: 407.11
• IUPAC Name: 2-[[5-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
• SMILES: Cc1ccc(NC(=O)CSc2nnc(CCN3CCC(=O)NC3=O)o2)cc1F
• InChI: InChI=1S/C17H18FN5O4S/c1-10-2-3-11(8-12(10)18)19-14(25)9-28-17-22-21-15(27-17)5-7-23-6-4-13(24)20-16(23)26/h2-3,8H,4-7,9H2,1H3,(H,19,25)(H,20,24,26)
• InChIKey: PUKFOIGCRZMTKK-UHFFFAOYSA-N
• XLogP: 1.73
• TPSA: 117.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.43
LogP ≤ 5	1.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide?

The IUPAC name of 2-[[5-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide (CID 74776583) is 2-[[5-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide.

What is the SMILES notation for 2-[[5-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide?

The canonical SMILES for 2-[[5-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSc2nnc(CCN3CCC(=O)NC3=O)o2)cc1F.

What is the InChIKey of 2-[[5-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide?

The InChIKey is PUKFOIGCRZMTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O4S/c1-10-2-3-11(8-12(10)18)19-14(25)9-28-17-22-21-15(27-17)5-7-23-6-4-13(24)20-16(23)26/h2-3,8H,4-7,9H2,1H3,(H,19,25)(H,20,24,26).

What are the key properties of 2-[[5-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide?

2-[[5-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 407.43 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 74776583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).