ethyl 1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-4-[3-(4-methyl-5-oxo-2H-furan-3-yl)-2-oxo-1,3-oxazolidin-5-yl]piperidine-4-carboxylate

C27H32N2O9 — CID 122489095

About ethyl 1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-4-[3-(4-methyl-5-oxo-2H-furan-3-yl)-2-oxo-1,3-oxazolidin-5-yl]piperidine-4-carboxylate

ethyl 1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-4-[3-(4-methyl-5-oxo-2H-furan-3-yl)-2-oxo-1,3-oxazolidin-5-yl]piperidine-4-carboxylate (PubChem CID 122489095) has the molecular formula C27H32N2O9 and a molecular weight of 528.56 g/mol. Its IUPAC name is ethyl 1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-4-[3-(4-methyl-5-oxo-2H-furan-3-yl)-2-oxo-1,3-oxazolidin-5-yl]piperidine-4-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-4-[3-(4-methyl-5-oxo-2H-furan-3-yl)-2-oxo-1,3-oxazolidin-5-yl]piperidine-4-carboxylate
• PubChem CID: 122489095
• Molecular Formula: C27H32N2O9
• Molecular Weight: 528.56 g/mol
• Exact Mass: 528.21
• IUPAC Name: ethyl 1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-4-[3-(4-methyl-5-oxo-2H-furan-3-yl)-2-oxo-1,3-oxazolidin-5-yl]piperidine-4-carboxylate
• SMILES: CCOC(=O)C1(C2CN(C3=C(C)C(=O)OC3)C(=O)O2)CCN(C[C@H](O)c2ccc3c(c2C)COC3=O)CC1
• InChI: InChI=1S/C27H32N2O9/c1-4-35-25(33)27(22-12-29(26(34)38-22)20-14-37-23(31)16(20)3)7-9-28(10-8-27)11-21(30)17-5-6-18-19(15(17)2)13-36-24(18)32/h5-6,21-22,30H,4,7-14H2,1-3H3/t21-,22?/m0/s1
• InChIKey: ALSMFVNBFAEQDG-HMTLIYDFSA-N
• XLogP: 2.00
• TPSA: 131.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.56
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-4-[3-(4-methyl-5-oxo-2H-furan-3-yl)-2-oxo-1,3-oxazolidin-5-yl]piperidine-4-carboxylate?

The IUPAC name of ethyl 1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-4-[3-(4-methyl-5-oxo-2H-furan-3-yl)-2-oxo-1,3-oxazolidin-5-yl]piperidine-4-carboxylate (CID 122489095) is ethyl 1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-4-[3-(4-methyl-5-oxo-2H-furan-3-yl)-2-oxo-1,3-oxazolidin-5-yl]piperidine-4-carboxylate.

What is the SMILES notation for ethyl 1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-4-[3-(4-methyl-5-oxo-2H-furan-3-yl)-2-oxo-1,3-oxazolidin-5-yl]piperidine-4-carboxylate?

The canonical SMILES for ethyl 1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-4-[3-(4-methyl-5-oxo-2H-furan-3-yl)-2-oxo-1,3-oxazolidin-5-yl]piperidine-4-carboxylate is CCOC(=O)C1(C2CN(C3=C(C)C(=O)OC3)C(=O)O2)CCN(C[C@H](O)c2ccc3c(c2C)COC3=O)CC1.

What is the InChIKey of ethyl 1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-4-[3-(4-methyl-5-oxo-2H-furan-3-yl)-2-oxo-1,3-oxazolidin-5-yl]piperidine-4-carboxylate?

The InChIKey is ALSMFVNBFAEQDG-HMTLIYDFSA-N. The full InChI is InChI=1S/C27H32N2O9/c1-4-35-25(33)27(22-12-29(26(34)38-22)20-14-37-23(31)16(20)3)7-9-28(10-8-27)11-21(30)17-5-6-18-19(15(17)2)13-36-24(18)32/h5-6,21-22,30H,4,7-14H2,1-3H3/t21-,22?/m0/s1.

What are the key properties of ethyl 1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-4-[3-(4-methyl-5-oxo-2H-furan-3-yl)-2-oxo-1,3-oxazolidin-5-yl]piperidine-4-carboxylate?

ethyl 1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-4-[3-(4-methyl-5-oxo-2H-furan-3-yl)-2-oxo-1,3-oxazolidin-5-yl]piperidine-4-carboxylate has a molecular weight of 528.56 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-4-[3-(4-methyl-5-oxo-2H-furan-3-yl)-2-oxo-1,3-oxazolidin-5-yl]piperidine-4-carboxylate is sourced from PubChem (CID 122489095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).