5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide

C33H32N4O5 — CID 46021036

About 5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide

5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide (PubChem CID 46021036) has the molecular formula C33H32N4O5 and a molecular weight of 564.64 g/mol. Its IUPAC name is 5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide
• PubChem CID: 46021036
• Molecular Formula: C33H32N4O5
• Molecular Weight: 564.64 g/mol
• Exact Mass: 564.24
• IUPAC Name: 5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide
• SMILES: COc1cccc(C(=O)Nc2ccc(C3OC(=O)N(Cc4ccc(C)cc4)C3C(=O)NCCc3ccccn3)cc2)c1
• InChI: InChI=1S/C33H32N4O5/c1-22-9-11-23(12-10-22)21-37-29(32(39)35-19-17-26-7-3-4-18-34-26)30(42-33(37)40)24-13-15-27(16-14-24)36-31(38)25-6-5-8-28(20-25)41-2/h3-16,18,20,29-30H,17,19,21H2,1-2H3,(H,35,39)(H,36,38)
• InChIKey: BXBXFJXYVLFRJX-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 109.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.64
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide?

The IUPAC name of 5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide (CID 46021036) is 5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide.

What is the SMILES notation for 5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide?

The canonical SMILES for 5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide is COc1cccc(C(=O)Nc2ccc(C3OC(=O)N(Cc4ccc(C)cc4)C3C(=O)NCCc3ccccn3)cc2)c1.

What is the InChIKey of 5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide?

The InChIKey is BXBXFJXYVLFRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N4O5/c1-22-9-11-23(12-10-22)21-37-29(32(39)35-19-17-26-7-3-4-18-34-26)30(42-33(37)40)24-13-15-27(16-14-24)36-31(38)25-6-5-8-28(20-25)41-2/h3-16,18,20,29-30H,17,19,21H2,1-2H3,(H,35,39)(H,36,38).

What are the key properties of 5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide?

5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide has a molecular weight of 564.64 g/mol, XLogP of 5.07, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 46021036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).