(4R,5R)-5-(4-acetamidophenyl)-N-(3-methylbutyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide

C25H31N3O4 — CID 93201336

About (4R,5R)-5-(4-acetamidophenyl)-N-(3-methylbutyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide

(4R,5R)-5-(4-acetamidophenyl)-N-(3-methylbutyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 93201336) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is (4R,5R)-5-(4-acetamidophenyl)-N-(3-methylbutyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: (4R,5R)-5-(4-acetamidophenyl)-N-(3-methylbutyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• PubChem CID: 93201336
• Molecular Formula: C25H31N3O4
• Molecular Weight: 437.54 g/mol
• Exact Mass: 437.23
• IUPAC Name: (4R,5R)-5-(4-acetamidophenyl)-N-(3-methylbutyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• SMILES: CC(=O)Nc1ccc([C@H]2OC(=O)N(Cc3ccc(C)cc3)[C@H]2C(=O)NCCC(C)C)cc1
• InChI: InChI=1S/C25H31N3O4/c1-16(2)13-14-26-24(30)22-23(20-9-11-21(12-10-20)27-18(4)29)32-25(31)28(22)15-19-7-5-17(3)6-8-19/h5-12,16,22-23H,13-15H2,1-4H3,(H,26,30)(H,27,29)/t22-,23-/m1/s1
• InChIKey: NRXKYPGLONLLKT-DHIUTWEWSA-N
• XLogP: 4.18
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.54
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (4R,5R)-5-(4-acetamidophenyl)-N-(3-methylbutyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (CID 93201336) is (4R,5R)-5-(4-acetamidophenyl)-N-(3-methylbutyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

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

The canonical SMILES for (4R,5R)-5-(4-acetamidophenyl)-N-(3-methylbutyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is CC(=O)Nc1ccc([C@H]2OC(=O)N(Cc3ccc(C)cc3)[C@H]2C(=O)NCCC(C)C)cc1.

What is the InChIKey of (4R,5R)-5-(4-acetamidophenyl)-N-(3-methylbutyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?

The InChIKey is NRXKYPGLONLLKT-DHIUTWEWSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-16(2)13-14-26-24(30)22-23(20-9-11-21(12-10-20)27-18(4)29)32-25(31)28(22)15-19-7-5-17(3)6-8-19/h5-12,16,22-23H,13-15H2,1-4H3,(H,26,30)(H,27,29)/t22-,23-/m1/s1.

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

(4R,5R)-5-(4-acetamidophenyl)-N-(3-methylbutyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5R)-5-(4-acetamidophenyl)-N-(3-methylbutyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 93201336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).