[(5S)-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 (2S)-pyrrolidine-2-carboxylate

C26H26FN7O5 — CID 140510955

About [(5S)-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 (2S)-pyrrolidine-2-carboxylate

[(5S)-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 (2S)-pyrrolidine-2-carboxylate (PubChem CID 140510955) has the molecular formula C26H26FN7O5 and a molecular weight of 535.54 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]-4,5-dihydro-1,2-oxazol-5-yl]methyl (2S)-pyrrolidine-2-carboxylate.

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]-4,5-dihydro-1,2-oxazol-5-yl]methyl (2S)-pyrrolidine-2-carboxylate
• PubChem CID: 140510955
• Molecular Formula: C26H26FN7O5
• Molecular Weight: 535.54 g/mol
• Exact Mass: 535.20
• IUPAC Name: [(5S)-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 (2S)-pyrrolidine-2-carboxylate
• SMILES: O=C(OC[C@@H]1CC(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)=NO1)[C@@H]1CCCN1
• InChI: InChI=1S/C26H26FN7O5/c27-21-10-17(34-14-19(38-26(34)36)13-33-9-8-30-32-33)4-5-20(21)16-3-6-22(29-12-16)24-11-18(39-31-24)15-37-25(35)23-2-1-7-28-23/h3-6,8-10,12,18-19,23,28H,1-2,7,11,13-15H2/t18-,19-,23-/m0/s1
• InChIKey: WQQIGVYAMWOHEZ-YDHSSHFGSA-N
• XLogP: 2.29
• TPSA: 133.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.54
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	1
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]-4,5-dihydro-1,2-oxazol-5-yl]methyl (2S)-pyrrolidine-2-carboxylate?

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]-4,5-dihydro-1,2-oxazol-5-yl]methyl (2S)-pyrrolidine-2-carboxylate (CID 140510955) is [(5S)-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 (2S)-pyrrolidine-2-carboxylate.

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]-4,5-dihydro-1,2-oxazol-5-yl]methyl (2S)-pyrrolidine-2-carboxylate?

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]-4,5-dihydro-1,2-oxazol-5-yl]methyl (2S)-pyrrolidine-2-carboxylate is O=C(OC[C@@H]1CC(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)=NO1)[C@@H]1CCCN1.

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]-4,5-dihydro-1,2-oxazol-5-yl]methyl (2S)-pyrrolidine-2-carboxylate?

The InChIKey is WQQIGVYAMWOHEZ-YDHSSHFGSA-N. The full InChI is InChI=1S/C26H26FN7O5/c27-21-10-17(34-14-19(38-26(34)36)13-33-9-8-30-32-33)4-5-20(21)16-3-6-22(29-12-16)24-11-18(39-31-24)15-37-25(35)23-2-1-7-28-23/h3-6,8-10,12,18-19,23,28H,1-2,7,11,13-15H2/t18-,19-,23-/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]-4,5-dihydro-1,2-oxazol-5-yl]methyl (2S)-pyrrolidine-2-carboxylate?

[(5S)-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 (2S)-pyrrolidine-2-carboxylate has a molecular weight of 535.54 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 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]-4,5-dihydro-1,2-oxazol-5-yl]methyl (2S)-pyrrolidine-2-carboxylate is sourced from PubChem (CID 140510955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).