5-(3-benzamidophenyl)-3-benzyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide

C30H32N4O5 — CID 42841060

About 5-(3-benzamidophenyl)-3-benzyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide

5-(3-benzamidophenyl)-3-benzyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 42841060) has the molecular formula C30H32N4O5 and a molecular weight of 528.61 g/mol. Its IUPAC name is 5-(3-benzamidophenyl)-3-benzyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: 5-(3-benzamidophenyl)-3-benzyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
• PubChem CID: 42841060
• Molecular Formula: C30H32N4O5
• Molecular Weight: 528.61 g/mol
• Exact Mass: 528.24
• IUPAC Name: 5-(3-benzamidophenyl)-3-benzyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
• SMILES: O=C(Nc1cccc(C2OC(=O)N(Cc3ccccc3)C2C(=O)NCCN2CCOCC2)c1)c1ccccc1
• InChI: InChI=1S/C30H32N4O5/c35-28(23-10-5-2-6-11-23)32-25-13-7-12-24(20-25)27-26(29(36)31-14-15-33-16-18-38-19-17-33)34(30(37)39-27)21-22-8-3-1-4-9-22/h1-13,20,26-27H,14-19,21H2,(H,31,36)(H,32,35)
• InChIKey: WIFCZHLZSDMFLH-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 100.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.61
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(3-benzamidophenyl)-3-benzyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide?

The IUPAC name of 5-(3-benzamidophenyl)-3-benzyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide (CID 42841060) is 5-(3-benzamidophenyl)-3-benzyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide.

What is the SMILES notation for 5-(3-benzamidophenyl)-3-benzyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide?

The canonical SMILES for 5-(3-benzamidophenyl)-3-benzyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide is O=C(Nc1cccc(C2OC(=O)N(Cc3ccccc3)C2C(=O)NCCN2CCOCC2)c1)c1ccccc1.

What is the InChIKey of 5-(3-benzamidophenyl)-3-benzyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide?

The InChIKey is WIFCZHLZSDMFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O5/c35-28(23-10-5-2-6-11-23)32-25-13-7-12-24(20-25)27-26(29(36)31-14-15-33-16-18-38-19-17-33)34(30(37)39-27)21-22-8-3-1-4-9-22/h1-13,20,26-27H,14-19,21H2,(H,31,36)(H,32,35).

What are the key properties of 5-(3-benzamidophenyl)-3-benzyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide?

5-(3-benzamidophenyl)-3-benzyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 528.61 g/mol, XLogP of 3.45, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-benzamidophenyl)-3-benzyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 42841060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).