[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2S)-pyrrolidine-2-carboxylate;2,2,2-trifluoroacetic acid

C24H23F4N7O6 — CID 11169190

About [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2S)-pyrrolidine-2-carboxylate;2,2,2-trifluoroacetic acid

[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2S)-pyrrolidine-2-carboxylate;2,2,2-trifluoroacetic acid (PubChem CID 11169190) has the molecular formula C24H23F4N7O6 and a molecular weight of 581.48 g/mol. Its IUPAC name is [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2S)-pyrrolidine-2-carboxylate;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2S)-pyrrolidine-2-carboxylate;2,2,2-trifluoroacetic acid
• PubChem CID: 11169190
• Molecular Formula: C24H23F4N7O6
• Molecular Weight: 581.48 g/mol
• Exact Mass: 581.16
• IUPAC Name: [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2S)-pyrrolidine-2-carboxylate;2,2,2-trifluoroacetic acid
• SMILES: Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](COC(=O)[C@@H]5CCCN5)OC4=O)cc3F)cn2)n1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C22H22FN7O4.C2HF3O2/c1-29-27-20(26-28-29)18-7-4-13(10-25-18)16-6-5-14(9-17(16)23)30-11-15(34-22(30)32)12-33-21(31)19-3-2-8-24-19;3-2(4,5)1(6)7/h4-7,9-10,15,19,24H,2-3,8,11-12H2,1H3;(H,6,7)/t15-,19+;/m1./s1
• InChIKey: PHAJQNJONLDDSB-WSCVZUBPSA-N
• XLogP: 2.33
• TPSA: 161.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	581.48
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2S)-pyrrolidine-2-carboxylate;2,2,2-trifluoroacetic acid?

The IUPAC name of [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2S)-pyrrolidine-2-carboxylate;2,2,2-trifluoroacetic acid (CID 11169190) is [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2S)-pyrrolidine-2-carboxylate;2,2,2-trifluoroacetic acid.

What is the SMILES notation for [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2S)-pyrrolidine-2-carboxylate;2,2,2-trifluoroacetic acid?

The canonical SMILES for [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2S)-pyrrolidine-2-carboxylate;2,2,2-trifluoroacetic acid is Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](COC(=O)[C@@H]5CCCN5)OC4=O)cc3F)cn2)n1.O=C(O)C(F)(F)F.

What is the InChIKey of [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2S)-pyrrolidine-2-carboxylate;2,2,2-trifluoroacetic acid?

The InChIKey is PHAJQNJONLDDSB-WSCVZUBPSA-N. The full InChI is InChI=1S/C22H22FN7O4.C2HF3O2/c1-29-27-20(26-28-29)18-7-4-13(10-25-18)16-6-5-14(9-17(16)23)30-11-15(34-22(30)32)12-33-21(31)19-3-2-8-24-19;3-2(4,5)1(6)7/h4-7,9-10,15,19,24H,2-3,8,11-12H2,1H3;(H,6,7)/t15-,19+;/m1./s1.

What are the key properties of [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2S)-pyrrolidine-2-carboxylate;2,2,2-trifluoroacetic acid?

[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2S)-pyrrolidine-2-carboxylate;2,2,2-trifluoroacetic acid has a molecular weight of 581.48 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2S)-pyrrolidine-2-carboxylate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 11169190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).