[(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-2-oxo-5-[(4-phenyltriazol-1-yl)methyl]-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid

C37H37FN8O5 — CID 118092496

About [(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-2-oxo-5-[(4-phenyltriazol-1-yl)methyl]-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid

[(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-2-oxo-5-[(4-phenyltriazol-1-yl)methyl]-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid (PubChem CID 118092496) has the molecular formula C37H37FN8O5 and a molecular weight of 692.75 g/mol. Its IUPAC name is [(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-2-oxo-5-[(4-phenyltriazol-1-yl)methyl]-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-2-oxo-5-[(4-phenyltriazol-1-yl)methyl]-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid
• PubChem CID: 118092496
• Molecular Formula: C37H37FN8O5
• Molecular Weight: 692.75 g/mol
• Exact Mass: 692.29
• IUPAC Name: [(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-2-oxo-5-[(4-phenyltriazol-1-yl)methyl]-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid
• SMILES: CC(C)[C@H](NC(=O)O)C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(N4C[C@H](Cn5cc(-c6ccccc6)nn5)OC4=O)cc3F)cc2)[nH]1
• InChI: InChI=1S/C37H37FN8O5/c1-22(2)33(41-36(48)49)35(47)45-16-6-9-32(45)34-39-18-30(40-34)25-12-10-23(11-13-25)28-15-14-26(17-29(28)38)46-20-27(51-37(46)50)19-44-21-31(42-43-44)24-7-4-3-5-8-24/h3-5,7-8,10-15,17-18,21-22,27,32-33,41H,6,9,16,19-20H2,1-2H3,(H,39,40)(H,48,49)/t27-,32-,33-/m0/s1
• InChIKey: MAXFCJSXCKODKR-GIBUXBDZSA-N
• XLogP: 6.12
• TPSA: 158.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	692.75
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-2-oxo-5-[(4-phenyltriazol-1-yl)methyl]-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid?

The IUPAC name of [(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-2-oxo-5-[(4-phenyltriazol-1-yl)methyl]-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid (CID 118092496) is [(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-2-oxo-5-[(4-phenyltriazol-1-yl)methyl]-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid.

What is the SMILES notation for [(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-2-oxo-5-[(4-phenyltriazol-1-yl)methyl]-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid?

The canonical SMILES for [(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-2-oxo-5-[(4-phenyltriazol-1-yl)methyl]-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid is CC(C)[C@H](NC(=O)O)C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(N4C[C@H](Cn5cc(-c6ccccc6)nn5)OC4=O)cc3F)cc2)[nH]1.

What is the InChIKey of [(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-2-oxo-5-[(4-phenyltriazol-1-yl)methyl]-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid?

The InChIKey is MAXFCJSXCKODKR-GIBUXBDZSA-N. The full InChI is InChI=1S/C37H37FN8O5/c1-22(2)33(41-36(48)49)35(47)45-16-6-9-32(45)34-39-18-30(40-34)25-12-10-23(11-13-25)28-15-14-26(17-29(28)38)46-20-27(51-37(46)50)19-44-21-31(42-43-44)24-7-4-3-5-8-24/h3-5,7-8,10-15,17-18,21-22,27,32-33,41H,6,9,16,19-20H2,1-2H3,(H,39,40)(H,48,49)/t27-,32-,33-/m0/s1.

What are the key properties of [(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-2-oxo-5-[(4-phenyltriazol-1-yl)methyl]-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid?

[(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-2-oxo-5-[(4-phenyltriazol-1-yl)methyl]-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid has a molecular weight of 692.75 g/mol, XLogP of 6.12, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-2-oxo-5-[(4-phenyltriazol-1-yl)methyl]-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid is sourced from PubChem (CID 118092496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).