(4S)-4-benzyl-3-[(3R,4S)-2,3-diphenyl-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one

C26H24N2O4 — CID 10693824

About (4S)-4-benzyl-3-[(3R,4S)-2,3-diphenyl-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(3R,4S)-2,3-diphenyl-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 10693824) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(3R,4S)-2,3-diphenyl-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-4-benzyl-3-[(3R,4S)-2,3-diphenyl-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one
• PubChem CID: 10693824
• Molecular Formula: C26H24N2O4
• Molecular Weight: 428.49 g/mol
• Exact Mass: 428.17
• IUPAC Name: (4S)-4-benzyl-3-[(3R,4S)-2,3-diphenyl-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one
• SMILES: O=C1OC[C@H](Cc2ccccc2)N1C(=O)[C@@H]1CON(c2ccccc2)[C@H]1c1ccccc1
• InChI: InChI=1S/C26H24N2O4/c29-25(27-22(17-31-26(27)30)16-19-10-4-1-5-11-19)23-18-32-28(21-14-8-3-9-15-21)24(23)20-12-6-2-7-13-20/h1-15,22-24H,16-18H2/t22-,23+,24-/m0/s1
• InChIKey: HPIXLQCNYFSQSL-VXNXHJTFSA-N
• XLogP: 4.39
• TPSA: 59.08 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.49
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(3R,4S)-2,3-diphenyl-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one?

The IUPAC name of (4S)-4-benzyl-3-[(3R,4S)-2,3-diphenyl-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one (CID 10693824) is (4S)-4-benzyl-3-[(3R,4S)-2,3-diphenyl-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (4S)-4-benzyl-3-[(3R,4S)-2,3-diphenyl-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (4S)-4-benzyl-3-[(3R,4S)-2,3-diphenyl-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one is O=C1OC[C@H](Cc2ccccc2)N1C(=O)[C@@H]1CON(c2ccccc2)[C@H]1c1ccccc1.

What is the InChIKey of (4S)-4-benzyl-3-[(3R,4S)-2,3-diphenyl-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one?

The InChIKey is HPIXLQCNYFSQSL-VXNXHJTFSA-N. The full InChI is InChI=1S/C26H24N2O4/c29-25(27-22(17-31-26(27)30)16-19-10-4-1-5-11-19)23-18-32-28(21-14-8-3-9-15-21)24(23)20-12-6-2-7-13-20/h1-15,22-24H,16-18H2/t22-,23+,24-/m0/s1.

What are the key properties of (4S)-4-benzyl-3-[(3R,4S)-2,3-diphenyl-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one?

(4S)-4-benzyl-3-[(3R,4S)-2,3-diphenyl-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 428.49 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-benzyl-3-[(3R,4S)-2,3-diphenyl-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10693824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).