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

C27H22FN7O5 — CID 58653795

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

[3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate (PubChem CID 58653795) has the molecular formula C27H22FN7O5 and a molecular weight of 543.52 g/mol. Its IUPAC name is [3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate.

Molecular Properties

• Compound Name: [3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate
• PubChem CID: 58653795
• Molecular Formula: C27H22FN7O5
• Molecular Weight: 543.52 g/mol
• Exact Mass: 543.17
• IUPAC Name: [3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate
• SMILES: O=C(OCC1CC(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)=NO1)c1cccnc1
• InChI: InChI=1S/C27H22FN7O5/c28-23-10-19(35-15-21(39-27(35)37)14-34-9-8-31-33-34)4-5-22(23)17-3-6-24(30-13-17)25-11-20(40-32-25)16-38-26(36)18-2-1-7-29-12-18/h1-10,12-13,20-21H,11,14-16H2/t20?,21-/m0/s1
• InChIKey: URXDNWJWXCTLPF-LBAQZLPGSA-N
• XLogP: 3.25
• TPSA: 133.92 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.52
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of [3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate (CID 58653795) is [3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate.

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

The canonical SMILES for [3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate is O=C(OCC1CC(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)=NO1)c1cccnc1.

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

The InChIKey is URXDNWJWXCTLPF-LBAQZLPGSA-N. The full InChI is InChI=1S/C27H22FN7O5/c28-23-10-19(35-15-21(39-27(35)37)14-34-9-8-31-33-34)4-5-22(23)17-3-6-24(30-13-17)25-11-20(40-32-25)16-38-26(36)18-2-1-7-29-12-18/h1-10,12-13,20-21H,11,14-16H2/t20?,21-/m0/s1.

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

[3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate has a molecular weight of 543.52 g/mol, XLogP of 3.25, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl pyridine-3-carboxylate is sourced from PubChem (CID 58653795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).