5-(3-acetamidophenyl)-N-butan-2-yl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide

C23H26FN3O4 — CID 42840933

About 5-(3-acetamidophenyl)-N-butan-2-yl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide

5-(3-acetamidophenyl)-N-butan-2-yl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 42840933) has the molecular formula C23H26FN3O4 and a molecular weight of 427.48 g/mol. Its IUPAC name is 5-(3-acetamidophenyl)-N-butan-2-yl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: 5-(3-acetamidophenyl)-N-butan-2-yl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• PubChem CID: 42840933
• Molecular Formula: C23H26FN3O4
• Molecular Weight: 427.48 g/mol
• Exact Mass: 427.19
• IUPAC Name: 5-(3-acetamidophenyl)-N-butan-2-yl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• SMILES: CCC(C)NC(=O)C1C(c2cccc(NC(C)=O)c2)OC(=O)N1Cc1ccc(F)cc1
• InChI: InChI=1S/C23H26FN3O4/c1-4-14(2)25-22(29)20-21(17-6-5-7-19(12-17)26-15(3)28)31-23(30)27(20)13-16-8-10-18(24)11-9-16/h5-12,14,20-21H,4,13H2,1-3H3,(H,25,29)(H,26,28)
• InChIKey: XMORTQMHOLSTDQ-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.48
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetamidophenyl)-N-butan-2-yl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?

The IUPAC name of 5-(3-acetamidophenyl)-N-butan-2-yl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (CID 42840933) is 5-(3-acetamidophenyl)-N-butan-2-yl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

What is the SMILES notation for 5-(3-acetamidophenyl)-N-butan-2-yl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?

The canonical SMILES for 5-(3-acetamidophenyl)-N-butan-2-yl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is CCC(C)NC(=O)C1C(c2cccc(NC(C)=O)c2)OC(=O)N1Cc1ccc(F)cc1.

What is the InChIKey of 5-(3-acetamidophenyl)-N-butan-2-yl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?

The InChIKey is XMORTQMHOLSTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O4/c1-4-14(2)25-22(29)20-21(17-6-5-7-19(12-17)26-15(3)28)31-23(30)27(20)13-16-8-10-18(24)11-9-16/h5-12,14,20-21H,4,13H2,1-3H3,(H,25,29)(H,26,28).

What are the key properties of 5-(3-acetamidophenyl)-N-butan-2-yl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?

5-(3-acetamidophenyl)-N-butan-2-yl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 427.48 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-acetamidophenyl)-N-butan-2-yl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 42840933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).