[(5R)-3-[3-fluoro-4-[6-(triazol-2-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroacetic acid

C21H18F4N6O6 — CID 11272471

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

[(5R)-3-[3-fluoro-4-[6-(triazol-2-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroacetic acid (PubChem CID 11272471) has the molecular formula C21H18F4N6O6 and a molecular weight of 526.40 g/mol. Its IUPAC name is [(5R)-3-[3-fluoro-4-[6-(triazol-2-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: [(5R)-3-[3-fluoro-4-[6-(triazol-2-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroacetic acid
• PubChem CID: 11272471
• Molecular Formula: C21H18F4N6O6
• Molecular Weight: 526.40 g/mol
• Exact Mass: 526.12
• IUPAC Name: [(5R)-3-[3-fluoro-4-[6-(triazol-2-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroacetic acid
• SMILES: NCC(=O)OC[C@H]1CN(c2ccc(-c3ccc(-n4nccn4)nc3)c(F)c2)C(=O)O1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C19H17FN6O4.C2HF3O2/c20-16-7-13(25-10-14(30-19(25)28)11-29-18(27)8-21)2-3-15(16)12-1-4-17(22-9-12)26-23-5-6-24-26;3-2(4,5)1(6)7/h1-7,9,14H,8,10-11,21H2;(H,6,7)/t14-;/m1./s1
• InChIKey: UPSZFGUKGSJXDZ-PFEQFJNWSA-N
• XLogP: 1.93
• TPSA: 162.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.40
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of [(5R)-3-[3-fluoro-4-[6-(triazol-2-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroacetic acid (CID 11272471) is [(5R)-3-[3-fluoro-4-[6-(triazol-2-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroacetic acid.

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

The canonical SMILES for [(5R)-3-[3-fluoro-4-[6-(triazol-2-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroacetic acid is NCC(=O)OC[C@H]1CN(c2ccc(-c3ccc(-n4nccn4)nc3)c(F)c2)C(=O)O1.O=C(O)C(F)(F)F.

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

The InChIKey is UPSZFGUKGSJXDZ-PFEQFJNWSA-N. The full InChI is InChI=1S/C19H17FN6O4.C2HF3O2/c20-16-7-13(25-10-14(30-19(25)28)11-29-18(27)8-21)2-3-15(16)12-1-4-17(22-9-12)26-23-5-6-24-26;3-2(4,5)1(6)7/h1-7,9,14H,8,10-11,21H2;(H,6,7)/t14-;/m1./s1.

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

[(5R)-3-[3-fluoro-4-[6-(triazol-2-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroacetic acid has a molecular weight of 526.40 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [(5R)-3-[3-fluoro-4-[6-(triazol-2-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 11272471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).