benzyl N-[(2S)-2-methyl-3-oxo-3-[(4R)-2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]carbamate

C30H32N2O5 — CID 101258981

About benzyl N-[(2S)-2-methyl-3-oxo-3-[(4R)-2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]carbamate

benzyl N-[(2S)-2-methyl-3-oxo-3-[(4R)-2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]carbamate (PubChem CID 101258981) has the molecular formula C30H32N2O5 and a molecular weight of 500.60 g/mol. Its IUPAC name is benzyl N-[(2S)-2-methyl-3-oxo-3-[(4R)-2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[(2S)-2-methyl-3-oxo-3-[(4R)-2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]carbamate
• PubChem CID: 101258981
• Molecular Formula: C30H32N2O5
• Molecular Weight: 500.60 g/mol
• Exact Mass: 500.23
• IUPAC Name: benzyl N-[(2S)-2-methyl-3-oxo-3-[(4R)-2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]carbamate
• SMILES: CC(C)[C@H]1N(C(=O)[C@@H](C)CNC(=O)OCc2ccccc2)C(=O)OC1(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C30H32N2O5/c1-21(2)26-30(24-15-9-5-10-16-24,25-17-11-6-12-18-25)37-29(35)32(26)27(33)22(3)19-31-28(34)36-20-23-13-7-4-8-14-23/h4-18,21-22,26H,19-20H2,1-3H3,(H,31,34)/t22-,26+/m0/s1
• InChIKey: PXAYCFRWGZMHJY-BKMJKUGQSA-N
• XLogP: 5.50
• TPSA: 84.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.60
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-2-methyl-3-oxo-3-[(4R)-2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]carbamate?

The IUPAC name of benzyl N-[(2S)-2-methyl-3-oxo-3-[(4R)-2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]carbamate (CID 101258981) is benzyl N-[(2S)-2-methyl-3-oxo-3-[(4R)-2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]carbamate.

What is the SMILES notation for benzyl N-[(2S)-2-methyl-3-oxo-3-[(4R)-2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]carbamate?

The canonical SMILES for benzyl N-[(2S)-2-methyl-3-oxo-3-[(4R)-2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]carbamate is CC(C)[C@H]1N(C(=O)[C@@H](C)CNC(=O)OCc2ccccc2)C(=O)OC1(c1ccccc1)c1ccccc1.

What is the InChIKey of benzyl N-[(2S)-2-methyl-3-oxo-3-[(4R)-2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]carbamate?

The InChIKey is PXAYCFRWGZMHJY-BKMJKUGQSA-N. The full InChI is InChI=1S/C30H32N2O5/c1-21(2)26-30(24-15-9-5-10-16-24,25-17-11-6-12-18-25)37-29(35)32(26)27(33)22(3)19-31-28(34)36-20-23-13-7-4-8-14-23/h4-18,21-22,26H,19-20H2,1-3H3,(H,31,34)/t22-,26+/m0/s1.

What are the key properties of benzyl N-[(2S)-2-methyl-3-oxo-3-[(4R)-2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]carbamate?

benzyl N-[(2S)-2-methyl-3-oxo-3-[(4R)-2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]carbamate has a molecular weight of 500.60 g/mol, XLogP of 5.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[(2S)-2-methyl-3-oxo-3-[(4R)-2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]carbamate is sourced from PubChem (CID 101258981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).