(2S)-2-[(3S)-2-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-4-[(E)-2-phenylethenyl]azetidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

C31H28F3N3O4 — CID 138474911

About (2S)-2-[(3S)-2-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-4-[(E)-2-phenylethenyl]azetidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

(2S)-2-[(3S)-2-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-4-[(E)-2-phenylethenyl]azetidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 138474911) has the molecular formula C31H28F3N3O4 and a molecular weight of 563.58 g/mol. Its IUPAC name is (2S)-2-[(3S)-2-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-4-[(E)-2-phenylethenyl]azetidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

• Compound Name: (2S)-2-[(3S)-2-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-4-[(E)-2-phenylethenyl]azetidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
• PubChem CID: 138474911
• Molecular Formula: C31H28F3N3O4
• Molecular Weight: 563.58 g/mol
• Exact Mass: 563.20
• IUPAC Name: (2S)-2-[(3S)-2-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-4-[(E)-2-phenylethenyl]azetidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
• SMILES: C[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)[C@@H](N2C(=O)OCC2c2ccccc2)C1/C=C/c1ccccc1
• InChI: InChI=1S/C31H28F3N3O4/c1-20(28(38)35-18-22-11-8-14-24(17-22)31(32,33)34)36-25(16-15-21-9-4-2-5-10-21)27(29(36)39)37-26(19-41-30(37)40)23-12-6-3-7-13-23/h2-17,20,25-27H,18-19H2,1H3,(H,35,38)/b16-15+/t20-,25?,26?,27-/m0/s1
• InChIKey: CXHOXDRWAYCKAE-DEQJJXKRSA-N
• XLogP: 5.20
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.58
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3S)-2-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-4-[(E)-2-phenylethenyl]azetidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?

The IUPAC name of (2S)-2-[(3S)-2-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-4-[(E)-2-phenylethenyl]azetidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (CID 138474911) is (2S)-2-[(3S)-2-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-4-[(E)-2-phenylethenyl]azetidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.

What is the SMILES notation for (2S)-2-[(3S)-2-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-4-[(E)-2-phenylethenyl]azetidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?

The canonical SMILES for (2S)-2-[(3S)-2-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-4-[(E)-2-phenylethenyl]azetidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is C[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)[C@@H](N2C(=O)OCC2c2ccccc2)C1/C=C/c1ccccc1.

What is the InChIKey of (2S)-2-[(3S)-2-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-4-[(E)-2-phenylethenyl]azetidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?

The InChIKey is CXHOXDRWAYCKAE-DEQJJXKRSA-N. The full InChI is InChI=1S/C31H28F3N3O4/c1-20(28(38)35-18-22-11-8-14-24(17-22)31(32,33)34)36-25(16-15-21-9-4-2-5-10-21)27(29(36)39)37-26(19-41-30(37)40)23-12-6-3-7-13-23/h2-17,20,25-27H,18-19H2,1H3,(H,35,38)/b16-15+/t20-,25?,26?,27-/m0/s1.

What are the key properties of (2S)-2-[(3S)-2-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-4-[(E)-2-phenylethenyl]azetidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?

(2S)-2-[(3S)-2-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-4-[(E)-2-phenylethenyl]azetidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 563.58 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[(3S)-2-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-4-[(E)-2-phenylethenyl]azetidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 138474911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).