(4R,5S)-N,3-dibenzyl-5-[3-[(2-fluorobenzoyl)amino]phenyl]-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide

C32H28FN3O4 — CID 98422873

About (4R,5S)-N,3-dibenzyl-5-[3-[(2-fluorobenzoyl)amino]phenyl]-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide

(4R,5S)-N,3-dibenzyl-5-[3-[(2-fluorobenzoyl)amino]phenyl]-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 98422873) has the molecular formula C32H28FN3O4 and a molecular weight of 537.59 g/mol. Its IUPAC name is (4R,5S)-N,3-dibenzyl-5-[3-[(2-fluorobenzoyl)amino]phenyl]-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: (4R,5S)-N,3-dibenzyl-5-[3-[(2-fluorobenzoyl)amino]phenyl]-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
• PubChem CID: 98422873
• Molecular Formula: C32H28FN3O4
• Molecular Weight: 537.59 g/mol
• Exact Mass: 537.21
• IUPAC Name: (4R,5S)-N,3-dibenzyl-5-[3-[(2-fluorobenzoyl)amino]phenyl]-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
• SMILES: CN(Cc1ccccc1)C(=O)[C@H]1[C@H](c2cccc(NC(=O)c3ccccc3F)c2)OC(=O)N1Cc1ccccc1
• InChI: InChI=1S/C32H28FN3O4/c1-35(20-22-11-4-2-5-12-22)31(38)28-29(40-32(39)36(28)21-23-13-6-3-7-14-23)24-15-10-16-25(19-24)34-30(37)26-17-8-9-18-27(26)33/h2-19,28-29H,20-21H2,1H3,(H,34,37)/t28-,29+/m1/s1
• InChIKey: KUKQAIJLJPZOCZ-WDYNHAJCSA-N
• XLogP: 5.80
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.59
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (4R,5S)-N,3-dibenzyl-5-[3-[(2-fluorobenzoyl)amino]phenyl]-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide (CID 98422873) is (4R,5S)-N,3-dibenzyl-5-[3-[(2-fluorobenzoyl)amino]phenyl]-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide.

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

The canonical SMILES for (4R,5S)-N,3-dibenzyl-5-[3-[(2-fluorobenzoyl)amino]phenyl]-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide is CN(Cc1ccccc1)C(=O)[C@H]1[C@H](c2cccc(NC(=O)c3ccccc3F)c2)OC(=O)N1Cc1ccccc1.

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

The InChIKey is KUKQAIJLJPZOCZ-WDYNHAJCSA-N. The full InChI is InChI=1S/C32H28FN3O4/c1-35(20-22-11-4-2-5-12-22)31(38)28-29(40-32(39)36(28)21-23-13-6-3-7-14-23)24-15-10-16-25(19-24)34-30(37)26-17-8-9-18-27(26)33/h2-19,28-29H,20-21H2,1H3,(H,34,37)/t28-,29+/m1/s1.

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

(4R,5S)-N,3-dibenzyl-5-[3-[(2-fluorobenzoyl)amino]phenyl]-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 537.59 g/mol, XLogP of 5.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5S)-N,3-dibenzyl-5-[3-[(2-fluorobenzoyl)amino]phenyl]-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 98422873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).