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

C45H47N7O4 — CID 58432522

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

(2R)-2-(dimethylamino)-1-[(2S)-2-[4-[4-[4-[2-[(2S)-3-[(2R)-2-(dimethylamino)-2-phenylacetyl]-1,3-oxazolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-1,3-oxazolidin-3-yl]-2-phenylethanone (PubChem CID 58432522) has the molecular formula C45H47N7O4 and a molecular weight of 749.92 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-1-[(2S)-2-[4-[4-[4-[2-[(2S)-3-[(2R)-2-(dimethylamino)-2-phenylacetyl]-1,3-oxazolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-1,3-oxazolidin-3-yl]-2-phenylethanone.

Molecular Properties

• Compound Name: (2R)-2-(dimethylamino)-1-[(2S)-2-[4-[4-[4-[2-[(2S)-3-[(2R)-2-(dimethylamino)-2-phenylacetyl]-1,3-oxazolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-1,3-oxazolidin-3-yl]-2-phenylethanone
• PubChem CID: 58432522
• Molecular Formula: C45H47N7O4
• Molecular Weight: 749.92 g/mol
• Exact Mass: 749.37
• IUPAC Name: (2R)-2-(dimethylamino)-1-[(2S)-2-[4-[4-[4-[2-[(2S)-3-[(2R)-2-(dimethylamino)-2-phenylacetyl]-1,3-oxazolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-1,3-oxazolidin-3-yl]-2-phenylethanone
• SMILES: CN(C)[C@@H](C(=O)N1CCO[C@H]1C1=NC=C(c2ccc(-c3ccc(-c4cnc([C@@H]5OCCN5C(=O)[C@@H](c5ccccc5)N(C)C)[nH]4)cc3)cc2)C1)c1ccccc1
• InChI: InChI=1S/C45H47N7O4/c1-49(2)39(34-11-7-5-8-12-34)42(53)51-23-25-55-44(51)37-27-36(28-46-37)32-17-15-30(16-18-32)31-19-21-33(22-20-31)38-29-47-41(48-38)45-52(24-26-56-45)43(54)40(50(3)4)35-13-9-6-10-14-35/h5-22,28-29,39-40,44-45H,23-27H2,1-4H3,(H,47,48)/t39-,40-,44+,45+/m1/s1
• InChIKey: LAEKMMNTUGKNBS-AGQPMONNSA-N
• XLogP: 6.58
• TPSA: 106.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	749.92
LogP ≤ 5	6.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (2R)-2-(dimethylamino)-1-[(2S)-2-[4-[4-[4-[2-[(2S)-3-[(2R)-2-(dimethylamino)-2-phenylacetyl]-1,3-oxazolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-1,3-oxazolidin-3-yl]-2-phenylethanone (CID 58432522) is (2R)-2-(dimethylamino)-1-[(2S)-2-[4-[4-[4-[2-[(2S)-3-[(2R)-2-(dimethylamino)-2-phenylacetyl]-1,3-oxazolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-1,3-oxazolidin-3-yl]-2-phenylethanone.

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

The canonical SMILES for (2R)-2-(dimethylamino)-1-[(2S)-2-[4-[4-[4-[2-[(2S)-3-[(2R)-2-(dimethylamino)-2-phenylacetyl]-1,3-oxazolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-1,3-oxazolidin-3-yl]-2-phenylethanone is CN(C)[C@@H](C(=O)N1CCO[C@H]1C1=NC=C(c2ccc(-c3ccc(-c4cnc([C@@H]5OCCN5C(=O)[C@@H](c5ccccc5)N(C)C)[nH]4)cc3)cc2)C1)c1ccccc1.

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

The InChIKey is LAEKMMNTUGKNBS-AGQPMONNSA-N. The full InChI is InChI=1S/C45H47N7O4/c1-49(2)39(34-11-7-5-8-12-34)42(53)51-23-25-55-44(51)37-27-36(28-46-37)32-17-15-30(16-18-32)31-19-21-33(22-20-31)38-29-47-41(48-38)45-52(24-26-56-45)43(54)40(50(3)4)35-13-9-6-10-14-35/h5-22,28-29,39-40,44-45H,23-27H2,1-4H3,(H,47,48)/t39-,40-,44+,45+/m1/s1.

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

(2R)-2-(dimethylamino)-1-[(2S)-2-[4-[4-[4-[2-[(2S)-3-[(2R)-2-(dimethylamino)-2-phenylacetyl]-1,3-oxazolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-1,3-oxazolidin-3-yl]-2-phenylethanone has a molecular weight of 749.92 g/mol, XLogP of 6.58, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(dimethylamino)-1-[(2S)-2-[4-[4-[4-[2-[(2S)-3-[(2R)-2-(dimethylamino)-2-phenylacetyl]-1,3-oxazolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-1,3-oxazolidin-3-yl]-2-phenylethanone is sourced from PubChem (CID 58432522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).