(4S)-3-[(2S)-3-methyl-2-phenylmethoxybut-3-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one

C30H31NO4 — CID 15893992

About (4S)-3-[(2S)-3-methyl-2-phenylmethoxybut-3-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(2S)-3-methyl-2-phenylmethoxybut-3-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 15893992) has the molecular formula C30H31NO4 and a molecular weight of 469.58 g/mol. Its IUPAC name is (4S)-3-[(2S)-3-methyl-2-phenylmethoxybut-3-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-3-[(2S)-3-methyl-2-phenylmethoxybut-3-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
• PubChem CID: 15893992
• Molecular Formula: C30H31NO4
• Molecular Weight: 469.58 g/mol
• Exact Mass: 469.23
• IUPAC Name: (4S)-3-[(2S)-3-methyl-2-phenylmethoxybut-3-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
• SMILES: C=C(C)[C@H](OCc1ccccc1)C(=O)N1C(=O)OC(c2ccccc2)(c2ccccc2)[C@@H]1C(C)C
• InChI: InChI=1S/C30H31NO4/c1-21(2)26(34-20-23-14-8-5-9-15-23)28(32)31-27(22(3)4)30(35-29(31)33,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-19,22,26-27H,1,20H2,2-4H3/t26-,27-/m0/s1
• InChIKey: SVGLEFRKOFWDJS-SVBPBHIXSA-N
• XLogP: 6.10
• TPSA: 55.84 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.58
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2S)-3-methyl-2-phenylmethoxybut-3-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?

The IUPAC name of (4S)-3-[(2S)-3-methyl-2-phenylmethoxybut-3-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 15893992) is (4S)-3-[(2S)-3-methyl-2-phenylmethoxybut-3-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one.

What is the SMILES notation for (4S)-3-[(2S)-3-methyl-2-phenylmethoxybut-3-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?

The canonical SMILES for (4S)-3-[(2S)-3-methyl-2-phenylmethoxybut-3-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one is C=C(C)[C@H](OCc1ccccc1)C(=O)N1C(=O)OC(c2ccccc2)(c2ccccc2)[C@@H]1C(C)C.

What is the InChIKey of (4S)-3-[(2S)-3-methyl-2-phenylmethoxybut-3-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?

The InChIKey is SVGLEFRKOFWDJS-SVBPBHIXSA-N. The full InChI is InChI=1S/C30H31NO4/c1-21(2)26(34-20-23-14-8-5-9-15-23)28(32)31-27(22(3)4)30(35-29(31)33,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-19,22,26-27H,1,20H2,2-4H3/t26-,27-/m0/s1.

What are the key properties of (4S)-3-[(2S)-3-methyl-2-phenylmethoxybut-3-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?

(4S)-3-[(2S)-3-methyl-2-phenylmethoxybut-3-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 469.58 g/mol, XLogP of 6.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-3-[(2S)-3-methyl-2-phenylmethoxybut-3-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 15893992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).