[2-[(2R)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-[(4-methoxyphenyl)methoxy]phenyl]-[(4R)-4-hydroxy-4-methyl-1,2-oxazolidin-2-yl]methanone

C34H39ClN2O8 — CID 68958821

About [2-[(2R)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-[(4-methoxyphenyl)methoxy]phenyl]-[(4R)-4-hydroxy-4-methyl-1,2-oxazolidin-2-yl]methanone

[2-[(2R)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-[(4-methoxyphenyl)methoxy]phenyl]-[(4R)-4-hydroxy-4-methyl-1,2-oxazolidin-2-yl]methanone (PubChem CID 68958821) has the molecular formula C34H39ClN2O8 and a molecular weight of 639.15 g/mol. Its IUPAC name is [2-[(2R)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-[(4-methoxyphenyl)methoxy]phenyl]-[(4R)-4-hydroxy-4-methyl-1,2-oxazolidin-2-yl]methanone.

Molecular Properties

• Compound Name: [2-[(2R)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-[(4-methoxyphenyl)methoxy]phenyl]-[(4R)-4-hydroxy-4-methyl-1,2-oxazolidin-2-yl]methanone
• PubChem CID: 68958821
• Molecular Formula: C34H39ClN2O8
• Molecular Weight: 639.15 g/mol
• Exact Mass: 638.24
• IUPAC Name: [2-[(2R)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-[(4-methoxyphenyl)methoxy]phenyl]-[(4R)-4-hydroxy-4-methyl-1,2-oxazolidin-2-yl]methanone
• SMILES: COc1ccc(COc2ccc(C(=O)N3C[C@@](C)(O)CO3)c(OC[C@H](O)CN3CCC4(CC3)Cc3cc(Cl)ccc3O4)c2)cc1
• InChI: InChI=1S/C34H39ClN2O8/c1-33(40)21-37(44-22-33)32(39)29-9-8-28(42-19-23-3-6-27(41-2)7-4-23)16-31(29)43-20-26(38)18-36-13-11-34(12-14-36)17-24-15-25(35)5-10-30(24)45-34/h3-10,15-16,26,38,40H,11-14,17-22H2,1-2H3/t26-,33-/m1/s1
• InChIKey: OQZUJKAUYZBBDO-UTONBFNKSA-N
• XLogP: 4.28
• TPSA: 110.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	639.15
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [2-[(2R)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-[(4-methoxyphenyl)methoxy]phenyl]-[(4R)-4-hydroxy-4-methyl-1,2-oxazolidin-2-yl]methanone?

The IUPAC name of [2-[(2R)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-[(4-methoxyphenyl)methoxy]phenyl]-[(4R)-4-hydroxy-4-methyl-1,2-oxazolidin-2-yl]methanone (CID 68958821) is [2-[(2R)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-[(4-methoxyphenyl)methoxy]phenyl]-[(4R)-4-hydroxy-4-methyl-1,2-oxazolidin-2-yl]methanone.

What is the SMILES notation for [2-[(2R)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-[(4-methoxyphenyl)methoxy]phenyl]-[(4R)-4-hydroxy-4-methyl-1,2-oxazolidin-2-yl]methanone?

The canonical SMILES for [2-[(2R)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-[(4-methoxyphenyl)methoxy]phenyl]-[(4R)-4-hydroxy-4-methyl-1,2-oxazolidin-2-yl]methanone is COc1ccc(COc2ccc(C(=O)N3C[C@@](C)(O)CO3)c(OC[C@H](O)CN3CCC4(CC3)Cc3cc(Cl)ccc3O4)c2)cc1.

What is the InChIKey of [2-[(2R)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-[(4-methoxyphenyl)methoxy]phenyl]-[(4R)-4-hydroxy-4-methyl-1,2-oxazolidin-2-yl]methanone?

The InChIKey is OQZUJKAUYZBBDO-UTONBFNKSA-N. The full InChI is InChI=1S/C34H39ClN2O8/c1-33(40)21-37(44-22-33)32(39)29-9-8-28(42-19-23-3-6-27(41-2)7-4-23)16-31(29)43-20-26(38)18-36-13-11-34(12-14-36)17-24-15-25(35)5-10-30(24)45-34/h3-10,15-16,26,38,40H,11-14,17-22H2,1-2H3/t26-,33-/m1/s1.

What are the key properties of [2-[(2R)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-[(4-methoxyphenyl)methoxy]phenyl]-[(4R)-4-hydroxy-4-methyl-1,2-oxazolidin-2-yl]methanone?

[2-[(2R)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-[(4-methoxyphenyl)methoxy]phenyl]-[(4R)-4-hydroxy-4-methyl-1,2-oxazolidin-2-yl]methanone has a molecular weight of 639.15 g/mol, XLogP of 4.28, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(2R)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-[(4-methoxyphenyl)methoxy]phenyl]-[(4R)-4-hydroxy-4-methyl-1,2-oxazolidin-2-yl]methanone is sourced from PubChem (CID 68958821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).