(2R)-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]amino]acetamide

C24H28F2N4O4Si — CID 140781260

About (2R)-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]amino]acetamide

(2R)-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]amino]acetamide (PubChem CID 140781260) has the molecular formula C24H28F2N4O4Si and a molecular weight of 502.59 g/mol. Its IUPAC name is (2R)-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]amino]acetamide.

Molecular Properties

• Compound Name: (2R)-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]amino]acetamide
• PubChem CID: 140781260
• Molecular Formula: C24H28F2N4O4Si
• Molecular Weight: 502.59 g/mol
• Exact Mass: 502.18
• IUPAC Name: (2R)-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]amino]acetamide
• SMILES: COCc1ccc([C@@H](NC(=O)Cc2nnc(C)o2)C(=O)Nc2cc(F)c([Si](C)(C)C)c(F)c2)cc1
• InChI: InChI=1S/C24H28F2N4O4Si/c1-14-29-30-21(34-14)12-20(31)28-22(16-8-6-15(7-9-16)13-33-2)24(32)27-17-10-18(25)23(19(26)11-17)35(3,4)5/h6-11,22H,12-13H2,1-5H3,(H,27,32)(H,28,31)/t22-/m1/s1
• InChIKey: OKKSLAFULOKJFF-JOCHJYFZSA-N
• XLogP: 3.39
• TPSA: 106.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.59
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]amino]acetamide?

The IUPAC name of (2R)-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]amino]acetamide (CID 140781260) is (2R)-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]amino]acetamide.

What is the SMILES notation for (2R)-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]amino]acetamide?

The canonical SMILES for (2R)-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]amino]acetamide is COCc1ccc([C@@H](NC(=O)Cc2nnc(C)o2)C(=O)Nc2cc(F)c([Si](C)(C)C)c(F)c2)cc1.

What is the InChIKey of (2R)-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]amino]acetamide?

The InChIKey is OKKSLAFULOKJFF-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H28F2N4O4Si/c1-14-29-30-21(34-14)12-20(31)28-22(16-8-6-15(7-9-16)13-33-2)24(32)27-17-10-18(25)23(19(26)11-17)35(3,4)5/h6-11,22H,12-13H2,1-5H3,(H,27,32)(H,28,31)/t22-/m1/s1.

What are the key properties of (2R)-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]amino]acetamide?

(2R)-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]amino]acetamide has a molecular weight of 502.59 g/mol, XLogP of 3.39, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]amino]acetamide is sourced from PubChem (CID 140781260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).