[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl (2S)-2-amino-3-methylbutanoate

C26H28FN7O5 — CID 90952047

About [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl (2S)-2-amino-3-methylbutanoate

[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl (2S)-2-amino-3-methylbutanoate (PubChem CID 90952047) has the molecular formula C26H28FN7O5 and a molecular weight of 537.55 g/mol. Its IUPAC name is [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl (2S)-2-amino-3-methylbutanoate.

Molecular Properties

• Compound Name: [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl (2S)-2-amino-3-methylbutanoate
• PubChem CID: 90952047
• Molecular Formula: C26H28FN7O5
• Molecular Weight: 537.55 g/mol
• Exact Mass: 537.21
• IUPAC Name: [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl (2S)-2-amino-3-methylbutanoate
• SMILES: CC(C)[C@H](N)C(=O)OC[C@@H]1C=C(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)NO1
• InChI: InChI=1S/C26H28FN7O5/c1-15(2)24(28)25(35)37-14-18-10-23(31-39-18)22-6-3-16(11-29-22)20-5-4-17(9-21(20)27)34-13-19(38-26(34)36)12-33-8-7-30-32-33/h3-11,15,18-19,24,31H,12-14,28H2,1-2H3/t18-,19-,24-/m0/s1
• InChIKey: OGRPLVZHRBVJCY-JXQFQVJHSA-N
• XLogP: 2.28
• TPSA: 146.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.55
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl (2S)-2-amino-3-methylbutanoate?

The IUPAC name of [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl (2S)-2-amino-3-methylbutanoate (CID 90952047) is [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl (2S)-2-amino-3-methylbutanoate.

What is the SMILES notation for [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl (2S)-2-amino-3-methylbutanoate?

The canonical SMILES for [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl (2S)-2-amino-3-methylbutanoate is CC(C)[C@H](N)C(=O)OC[C@@H]1C=C(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)NO1.

What is the InChIKey of [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl (2S)-2-amino-3-methylbutanoate?

The InChIKey is OGRPLVZHRBVJCY-JXQFQVJHSA-N. The full InChI is InChI=1S/C26H28FN7O5/c1-15(2)24(28)25(35)37-14-18-10-23(31-39-18)22-6-3-16(11-29-22)20-5-4-17(9-21(20)27)34-13-19(38-26(34)36)12-33-8-7-30-32-33/h3-11,15,18-19,24,31H,12-14,28H2,1-2H3/t18-,19-,24-/m0/s1.

What are the key properties of [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl (2S)-2-amino-3-methylbutanoate?

[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl (2S)-2-amino-3-methylbutanoate has a molecular weight of 537.55 g/mol, XLogP of 2.28, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl (2S)-2-amino-3-methylbutanoate is sourced from PubChem (CID 90952047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).