4-benzyl-3-[(2R)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one

C30H31NO5 — CID 134834760

About 4-benzyl-3-[(2R)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one

4-benzyl-3-[(2R)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one (PubChem CID 134834760) has the molecular formula C30H31NO5 and a molecular weight of 485.58 g/mol. Its IUPAC name is 4-benzyl-3-[(2R)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 4-benzyl-3-[(2R)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one
• PubChem CID: 134834760
• Molecular Formula: C30H31NO5
• Molecular Weight: 485.58 g/mol
• Exact Mass: 485.22
• IUPAC Name: 4-benzyl-3-[(2R)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one
• SMILES: C=CC[C@H](Cc1ccc(OCc2ccccc2)c(OC)c1)C(=O)N1C(=O)OCC1Cc1ccccc1
• InChI: InChI=1S/C30H31NO5/c1-3-10-25(29(32)31-26(21-36-30(31)33)18-22-11-6-4-7-12-22)17-24-15-16-27(28(19-24)34-2)35-20-23-13-8-5-9-14-23/h3-9,11-16,19,25-26H,1,10,17-18,20-21H2,2H3/t25-,26?/m1/s1
• InChIKey: AVZCTNAZGMHYJE-DCWQJPKNSA-N
• XLogP: 5.60
• TPSA: 65.07 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.58
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-[(2R)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one?

The IUPAC name of 4-benzyl-3-[(2R)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one (CID 134834760) is 4-benzyl-3-[(2R)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 4-benzyl-3-[(2R)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one?

The canonical SMILES for 4-benzyl-3-[(2R)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one is C=CC[C@H](Cc1ccc(OCc2ccccc2)c(OC)c1)C(=O)N1C(=O)OCC1Cc1ccccc1.

What is the InChIKey of 4-benzyl-3-[(2R)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one?

The InChIKey is AVZCTNAZGMHYJE-DCWQJPKNSA-N. The full InChI is InChI=1S/C30H31NO5/c1-3-10-25(29(32)31-26(21-36-30(31)33)18-22-11-6-4-7-12-22)17-24-15-16-27(28(19-24)34-2)35-20-23-13-8-5-9-14-23/h3-9,11-16,19,25-26H,1,10,17-18,20-21H2,2H3/t25-,26?/m1/s1.

What are the key properties of 4-benzyl-3-[(2R)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one?

4-benzyl-3-[(2R)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 485.58 g/mol, XLogP of 5.60, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-benzyl-3-[(2R)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134834760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).