(4R,5R)-5-[3-[(4-methylbenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide

C30H33N3O4 — CID 93202523

About (4R,5R)-5-[3-[(4-methylbenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide

(4R,5R)-5-[3-[(4-methylbenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 93202523) has the molecular formula C30H33N3O4 and a molecular weight of 499.61 g/mol. Its IUPAC name is (4R,5R)-5-[3-[(4-methylbenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: (4R,5R)-5-[3-[(4-methylbenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide
• PubChem CID: 93202523
• Molecular Formula: C30H33N3O4
• Molecular Weight: 499.61 g/mol
• Exact Mass: 499.25
• IUPAC Name: (4R,5R)-5-[3-[(4-methylbenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide
• SMILES: Cc1ccc(CN2C(=O)O[C@H](c3cccc(NC(=O)c4ccc(C)cc4)c3)[C@@H]2C(=O)NCC(C)C)cc1
• InChI: InChI=1S/C30H33N3O4/c1-19(2)17-31-29(35)26-27(37-30(36)33(26)18-22-12-8-20(3)9-13-22)24-6-5-7-25(16-24)32-28(34)23-14-10-21(4)11-15-23/h5-16,19,26-27H,17-18H2,1-4H3,(H,31,35)(H,32,34)/t26-,27-/m1/s1
• InChIKey: QALLSHOBWXVYBF-KAYWLYCHSA-N
• XLogP: 5.39
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.61
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (4R,5R)-5-[3-[(4-methylbenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide (CID 93202523) is (4R,5R)-5-[3-[(4-methylbenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide.

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

The canonical SMILES for (4R,5R)-5-[3-[(4-methylbenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide is Cc1ccc(CN2C(=O)O[C@H](c3cccc(NC(=O)c4ccc(C)cc4)c3)[C@@H]2C(=O)NCC(C)C)cc1.

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

The InChIKey is QALLSHOBWXVYBF-KAYWLYCHSA-N. The full InChI is InChI=1S/C30H33N3O4/c1-19(2)17-31-29(35)26-27(37-30(36)33(26)18-22-12-8-20(3)9-13-22)24-6-5-7-25(16-24)32-28(34)23-14-10-21(4)11-15-23/h5-16,19,26-27H,17-18H2,1-4H3,(H,31,35)(H,32,34)/t26-,27-/m1/s1.

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

(4R,5R)-5-[3-[(4-methylbenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 499.61 g/mol, XLogP of 5.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5R)-5-[3-[(4-methylbenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 93202523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).