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

C33H37ClN2O8 — CID 68958500

About [2-[(2R)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-[(4-methoxyphenyl)methoxy]phenyl]-[(4S)-4-hydroxy-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]-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]methanone (PubChem CID 68958500) has the molecular formula C33H37ClN2O8 and a molecular weight of 625.12 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]-[(4S)-4-hydroxy-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]-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]methanone
• PubChem CID: 68958500
• Molecular Formula: C33H37ClN2O8
• Molecular Weight: 625.12 g/mol
• Exact Mass: 624.22
• IUPAC Name: [2-[(2R)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-[(4-methoxyphenyl)methoxy]phenyl]-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]methanone
• SMILES: COc1ccc(COc2ccc(C(=O)N3C[C@H](O)CO3)c(OC[C@H](O)CN3CCC4(CC3)Cc3cc(Cl)ccc3O4)c2)cc1
• InChI: InChI=1S/C33H37ClN2O8/c1-40-27-5-2-22(3-6-27)19-41-28-7-8-29(32(39)36-18-26(38)21-43-36)31(15-28)42-20-25(37)17-35-12-10-33(11-13-35)16-23-14-24(34)4-9-30(23)44-33/h2-9,14-15,25-26,37-38H,10-13,16-21H2,1H3/t25-,26+/m1/s1
• InChIKey: IJGOHBDVNNLFGT-FTJBHMTQSA-N
• XLogP: 3.89
• TPSA: 110.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	625.12
LogP ≤ 5	3.89
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]-[(4S)-4-hydroxy-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]-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]methanone (CID 68958500) is [2-[(2R)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-[(4-methoxyphenyl)methoxy]phenyl]-[(4S)-4-hydroxy-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]-[(4S)-4-hydroxy-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]-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]methanone is COc1ccc(COc2ccc(C(=O)N3C[C@H](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]-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]methanone?

The InChIKey is IJGOHBDVNNLFGT-FTJBHMTQSA-N. The full InChI is InChI=1S/C33H37ClN2O8/c1-40-27-5-2-22(3-6-27)19-41-28-7-8-29(32(39)36-18-26(38)21-43-36)31(15-28)42-20-25(37)17-35-12-10-33(11-13-35)16-23-14-24(34)4-9-30(23)44-33/h2-9,14-15,25-26,37-38H,10-13,16-21H2,1H3/t25-,26+/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]-[(4S)-4-hydroxy-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]-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]methanone has a molecular weight of 625.12 g/mol, XLogP of 3.89, 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]-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]methanone is sourced from PubChem (CID 68958500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).