(4S)-3-[(2S)-2-azido-3-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]propanoyl]-4-benzyl-1,3-oxazolidin-2-one

C26H34N4O5Si — CID 10768028

About (4S)-3-[(2S)-2-azido-3-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]propanoyl]-4-benzyl-1,3-oxazolidin-2-one

(4S)-3-[(2S)-2-azido-3-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]propanoyl]-4-benzyl-1,3-oxazolidin-2-one (PubChem CID 10768028) has the molecular formula C26H34N4O5Si and a molecular weight of 510.67 g/mol. Its IUPAC name is (4S)-3-[(2S)-2-azido-3-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]propanoyl]-4-benzyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-3-[(2S)-2-azido-3-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]propanoyl]-4-benzyl-1,3-oxazolidin-2-one
• PubChem CID: 10768028
• Molecular Formula: C26H34N4O5Si
• Molecular Weight: 510.67 g/mol
• Exact Mass: 510.23
• IUPAC Name: (4S)-3-[(2S)-2-azido-3-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]propanoyl]-4-benzyl-1,3-oxazolidin-2-one
• SMILES: COc1ccc(C[C@H](N=[N+]=[N-])C(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)cc1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C26H34N4O5Si/c1-26(2,3)36(5,6)35-23-16-19(12-13-22(23)33-4)15-21(28-29-27)24(31)30-20(17-34-25(30)32)14-18-10-8-7-9-11-18/h7-13,16,20-21H,14-15,17H2,1-6H3/t20-,21-/m0/s1
• InChIKey: QYMXAPUOKKFEHL-SFTDATJTSA-N
• XLogP: 5.89
• TPSA: 113.83 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.67
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2S)-2-azido-3-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]propanoyl]-4-benzyl-1,3-oxazolidin-2-one?

The IUPAC name of (4S)-3-[(2S)-2-azido-3-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]propanoyl]-4-benzyl-1,3-oxazolidin-2-one (CID 10768028) is (4S)-3-[(2S)-2-azido-3-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]propanoyl]-4-benzyl-1,3-oxazolidin-2-one.

What is the SMILES notation for (4S)-3-[(2S)-2-azido-3-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]propanoyl]-4-benzyl-1,3-oxazolidin-2-one?

The canonical SMILES for (4S)-3-[(2S)-2-azido-3-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]propanoyl]-4-benzyl-1,3-oxazolidin-2-one is COc1ccc(C[C@H](N=[N+]=[N-])C(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)cc1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (4S)-3-[(2S)-2-azido-3-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]propanoyl]-4-benzyl-1,3-oxazolidin-2-one?

The InChIKey is QYMXAPUOKKFEHL-SFTDATJTSA-N. The full InChI is InChI=1S/C26H34N4O5Si/c1-26(2,3)36(5,6)35-23-16-19(12-13-22(23)33-4)15-21(28-29-27)24(31)30-20(17-34-25(30)32)14-18-10-8-7-9-11-18/h7-13,16,20-21H,14-15,17H2,1-6H3/t20-,21-/m0/s1.

What are the key properties of (4S)-3-[(2S)-2-azido-3-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]propanoyl]-4-benzyl-1,3-oxazolidin-2-one?

(4S)-3-[(2S)-2-azido-3-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]propanoyl]-4-benzyl-1,3-oxazolidin-2-one has a molecular weight of 510.67 g/mol, XLogP of 5.89, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-3-[(2S)-2-azido-3-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]propanoyl]-4-benzyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10768028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).