(4S)-4-benzyl-3-[(2S)-2-methoxy-3-[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-4-yl]propanoyl]-1,3-oxazolidin-2-one

C34H32N2O6S — CID 20599097

About (4S)-4-benzyl-3-[(2S)-2-methoxy-3-[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-4-yl]propanoyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(2S)-2-methoxy-3-[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-4-yl]propanoyl]-1,3-oxazolidin-2-one (PubChem CID 20599097) has the molecular formula C34H32N2O6S and a molecular weight of 596.71 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(2S)-2-methoxy-3-[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-4-yl]propanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-4-benzyl-3-[(2S)-2-methoxy-3-[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-4-yl]propanoyl]-1,3-oxazolidin-2-one
• PubChem CID: 20599097
• Molecular Formula: C34H32N2O6S
• Molecular Weight: 596.71 g/mol
• Exact Mass: 596.20
• IUPAC Name: (4S)-4-benzyl-3-[(2S)-2-methoxy-3-[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-4-yl]propanoyl]-1,3-oxazolidin-2-one
• SMILES: CO[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2sccc12)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
• InChI: InChI=1S/C34H32N2O6S/c1-22-28(35-32(42-22)24-11-7-4-8-12-24)15-17-40-29-14-13-25(27-16-18-43-31(27)29)20-30(39-2)33(37)36-26(21-41-34(36)38)19-23-9-5-3-6-10-23/h3-14,16,18,26,30H,15,17,19-21H2,1-2H3/t26-,30-/m0/s1
• InChIKey: ZAFQMJGCSVAOOB-YZNIXAGQSA-N
• XLogP: 6.63
• TPSA: 91.10 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	596.71
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(2S)-2-methoxy-3-[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-4-yl]propanoyl]-1,3-oxazolidin-2-one?

The IUPAC name of (4S)-4-benzyl-3-[(2S)-2-methoxy-3-[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-4-yl]propanoyl]-1,3-oxazolidin-2-one (CID 20599097) is (4S)-4-benzyl-3-[(2S)-2-methoxy-3-[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-4-yl]propanoyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (4S)-4-benzyl-3-[(2S)-2-methoxy-3-[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-4-yl]propanoyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (4S)-4-benzyl-3-[(2S)-2-methoxy-3-[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-4-yl]propanoyl]-1,3-oxazolidin-2-one is CO[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2sccc12)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.

What is the InChIKey of (4S)-4-benzyl-3-[(2S)-2-methoxy-3-[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-4-yl]propanoyl]-1,3-oxazolidin-2-one?

The InChIKey is ZAFQMJGCSVAOOB-YZNIXAGQSA-N. The full InChI is InChI=1S/C34H32N2O6S/c1-22-28(35-32(42-22)24-11-7-4-8-12-24)15-17-40-29-14-13-25(27-16-18-43-31(27)29)20-30(39-2)33(37)36-26(21-41-34(36)38)19-23-9-5-3-6-10-23/h3-14,16,18,26,30H,15,17,19-21H2,1-2H3/t26-,30-/m0/s1.

What are the key properties of (4S)-4-benzyl-3-[(2S)-2-methoxy-3-[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-4-yl]propanoyl]-1,3-oxazolidin-2-one?

(4S)-4-benzyl-3-[(2S)-2-methoxy-3-[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-4-yl]propanoyl]-1,3-oxazolidin-2-one has a molecular weight of 596.71 g/mol, XLogP of 6.63, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-benzyl-3-[(2S)-2-methoxy-3-[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-4-yl]propanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 20599097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).