5-[4-(butanoylamino)phenyl]-N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide

C28H28FN3O4 — CID 46021057

About 5-[4-(butanoylamino)phenyl]-N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide

5-[4-(butanoylamino)phenyl]-N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 46021057) has the molecular formula C28H28FN3O4 and a molecular weight of 489.55 g/mol. Its IUPAC name is 5-[4-(butanoylamino)phenyl]-N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: 5-[4-(butanoylamino)phenyl]-N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• PubChem CID: 46021057
• Molecular Formula: C28H28FN3O4
• Molecular Weight: 489.55 g/mol
• Exact Mass: 489.21
• IUPAC Name: 5-[4-(butanoylamino)phenyl]-N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• SMILES: CCCC(=O)Nc1ccc(C2OC(=O)N(Cc3ccc(C)cc3)C2C(=O)Nc2ccc(F)cc2)cc1
• InChI: InChI=1S/C28H28FN3O4/c1-3-4-24(33)30-22-13-9-20(10-14-22)26-25(27(34)31-23-15-11-21(29)12-16-23)32(28(35)36-26)17-19-7-5-18(2)6-8-19/h5-16,25-26H,3-4,17H2,1-2H3,(H,30,33)(H,31,34)
• InChIKey: LOWSGLCOANMKEY-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.55
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 5-[4-(butanoylamino)phenyl]-N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (CID 46021057) is 5-[4-(butanoylamino)phenyl]-N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

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

The canonical SMILES for 5-[4-(butanoylamino)phenyl]-N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is CCCC(=O)Nc1ccc(C2OC(=O)N(Cc3ccc(C)cc3)C2C(=O)Nc2ccc(F)cc2)cc1.

What is the InChIKey of 5-[4-(butanoylamino)phenyl]-N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?

The InChIKey is LOWSGLCOANMKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN3O4/c1-3-4-24(33)30-22-13-9-20(10-14-22)26-25(27(34)31-23-15-11-21(29)12-16-23)32(28(35)36-26)17-19-7-5-18(2)6-8-19/h5-16,25-26H,3-4,17H2,1-2H3,(H,30,33)(H,31,34).

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

5-[4-(butanoylamino)phenyl]-N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 489.55 g/mol, XLogP of 5.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(butanoylamino)phenyl]-N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 46021057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).