(2R)-2-(dimethylamino)-2-phenyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-3-(2-phenylacetyl)-1,3-thiazolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-oxazolidin-3-yl]ethanone

C42H41N7O3S — CID 70877566

About (2R)-2-(dimethylamino)-2-phenyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-3-(2-phenylacetyl)-1,3-thiazolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-oxazolidin-3-yl]ethanone

(2R)-2-(dimethylamino)-2-phenyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-3-(2-phenylacetyl)-1,3-thiazolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-oxazolidin-3-yl]ethanone (PubChem CID 70877566) has the molecular formula C42H41N7O3S and a molecular weight of 723.90 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-2-phenyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-3-(2-phenylacetyl)-1,3-thiazolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-oxazolidin-3-yl]ethanone.

Molecular Properties

• Compound Name: (2R)-2-(dimethylamino)-2-phenyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-3-(2-phenylacetyl)-1,3-thiazolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-oxazolidin-3-yl]ethanone
• PubChem CID: 70877566
• Molecular Formula: C42H41N7O3S
• Molecular Weight: 723.90 g/mol
• Exact Mass: 723.30
• IUPAC Name: (2R)-2-(dimethylamino)-2-phenyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-3-(2-phenylacetyl)-1,3-thiazolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-oxazolidin-3-yl]ethanone
• SMILES: CN(C)[C@@H](C(=O)N1CCO[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5SCCN5C(=O)Cc5ccccc5)[nH]4)cc3)cc2)[nH]1)c1ccccc1
• InChI: InChI=1S/C42H41N7O3S/c1-47(2)37(33-11-7-4-8-12-33)40(51)49-21-23-52-41(49)38-43-26-34(45-38)31-17-13-29(14-18-31)30-15-19-32(20-16-30)35-27-44-39(46-35)42-48(22-24-53-42)36(50)25-28-9-5-3-6-10-28/h3-20,26-27,37,41-42H,21-25H2,1-2H3,(H,43,45)(H,44,46)/t37-,41+,42+/m1/s1
• InChIKey: KODVXRNRKGWKML-XUNZALAPSA-N
• XLogP: 7.11
• TPSA: 110.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	723.90
LogP ≤ 5	7.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-2-phenyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-3-(2-phenylacetyl)-1,3-thiazolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-oxazolidin-3-yl]ethanone?

The IUPAC name of (2R)-2-(dimethylamino)-2-phenyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-3-(2-phenylacetyl)-1,3-thiazolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-oxazolidin-3-yl]ethanone (CID 70877566) is (2R)-2-(dimethylamino)-2-phenyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-3-(2-phenylacetyl)-1,3-thiazolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-oxazolidin-3-yl]ethanone.

What is the SMILES notation for (2R)-2-(dimethylamino)-2-phenyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-3-(2-phenylacetyl)-1,3-thiazolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-oxazolidin-3-yl]ethanone?

The canonical SMILES for (2R)-2-(dimethylamino)-2-phenyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-3-(2-phenylacetyl)-1,3-thiazolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-oxazolidin-3-yl]ethanone is CN(C)[C@@H](C(=O)N1CCO[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5SCCN5C(=O)Cc5ccccc5)[nH]4)cc3)cc2)[nH]1)c1ccccc1.

What is the InChIKey of (2R)-2-(dimethylamino)-2-phenyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-3-(2-phenylacetyl)-1,3-thiazolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-oxazolidin-3-yl]ethanone?

The InChIKey is KODVXRNRKGWKML-XUNZALAPSA-N. The full InChI is InChI=1S/C42H41N7O3S/c1-47(2)37(33-11-7-4-8-12-33)40(51)49-21-23-52-41(49)38-43-26-34(45-38)31-17-13-29(14-18-31)30-15-19-32(20-16-30)35-27-44-39(46-35)42-48(22-24-53-42)36(50)25-28-9-5-3-6-10-28/h3-20,26-27,37,41-42H,21-25H2,1-2H3,(H,43,45)(H,44,46)/t37-,41+,42+/m1/s1.

What are the key properties of (2R)-2-(dimethylamino)-2-phenyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-3-(2-phenylacetyl)-1,3-thiazolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-oxazolidin-3-yl]ethanone?

(2R)-2-(dimethylamino)-2-phenyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-3-(2-phenylacetyl)-1,3-thiazolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-oxazolidin-3-yl]ethanone has a molecular weight of 723.90 g/mol, XLogP of 7.11, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(dimethylamino)-2-phenyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-3-(2-phenylacetyl)-1,3-thiazolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-1,3-oxazolidin-3-yl]ethanone is sourced from PubChem (CID 70877566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).