(4R,5R)-3-benzyl-5-[3-(3-methylbutanoylamino)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide

C26H33N3O4 — CID 93202076

About (4R,5R)-3-benzyl-5-[3-(3-methylbutanoylamino)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide

(4R,5R)-3-benzyl-5-[3-(3-methylbutanoylamino)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 93202076) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is (4R,5R)-3-benzyl-5-[3-(3-methylbutanoylamino)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: (4R,5R)-3-benzyl-5-[3-(3-methylbutanoylamino)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide
• PubChem CID: 93202076
• Molecular Formula: C26H33N3O4
• Molecular Weight: 451.57 g/mol
• Exact Mass: 451.25
• IUPAC Name: (4R,5R)-3-benzyl-5-[3-(3-methylbutanoylamino)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide
• SMILES: CC(C)CNC(=O)[C@H]1[C@@H](c2cccc(NC(=O)CC(C)C)c2)OC(=O)N1Cc1ccccc1
• InChI: InChI=1S/C26H33N3O4/c1-17(2)13-22(30)28-21-12-8-11-20(14-21)24-23(25(31)27-15-18(3)4)29(26(32)33-24)16-19-9-6-5-7-10-19/h5-12,14,17-18,23-24H,13,15-16H2,1-4H3,(H,27,31)(H,28,30)/t23-,24-/m1/s1
• InChIKey: GRWXETRMWQBQQS-DNQXCXABSA-N
• XLogP: 4.51
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.57
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-3-benzyl-5-[3-(3-methylbutanoylamino)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide?

The IUPAC name of (4R,5R)-3-benzyl-5-[3-(3-methylbutanoylamino)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide (CID 93202076) is (4R,5R)-3-benzyl-5-[3-(3-methylbutanoylamino)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide.

What is the SMILES notation for (4R,5R)-3-benzyl-5-[3-(3-methylbutanoylamino)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide?

The canonical SMILES for (4R,5R)-3-benzyl-5-[3-(3-methylbutanoylamino)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide is CC(C)CNC(=O)[C@H]1[C@@H](c2cccc(NC(=O)CC(C)C)c2)OC(=O)N1Cc1ccccc1.

What is the InChIKey of (4R,5R)-3-benzyl-5-[3-(3-methylbutanoylamino)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide?

The InChIKey is GRWXETRMWQBQQS-DNQXCXABSA-N. The full InChI is InChI=1S/C26H33N3O4/c1-17(2)13-22(30)28-21-12-8-11-20(14-21)24-23(25(31)27-15-18(3)4)29(26(32)33-24)16-19-9-6-5-7-10-19/h5-12,14,17-18,23-24H,13,15-16H2,1-4H3,(H,27,31)(H,28,30)/t23-,24-/m1/s1.

What are the key properties of (4R,5R)-3-benzyl-5-[3-(3-methylbutanoylamino)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide?

(4R,5R)-3-benzyl-5-[3-(3-methylbutanoylamino)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 451.57 g/mol, XLogP of 4.51, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5R)-3-benzyl-5-[3-(3-methylbutanoylamino)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 93202076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).