(2S)-N-[[(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]pyrrolidine-2-carboxamide

C26H27FN8O4 — CID 11570088

About (2S)-N-[[(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]pyrrolidine-2-carboxamide

(2S)-N-[[(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]pyrrolidine-2-carboxamide (PubChem CID 11570088) has the molecular formula C26H27FN8O4 and a molecular weight of 534.55 g/mol. Its IUPAC name is (2S)-N-[[(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]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-N-[[(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]pyrrolidine-2-carboxamide
• PubChem CID: 11570088
• Molecular Formula: C26H27FN8O4
• Molecular Weight: 534.55 g/mol
• Exact Mass: 534.21
• IUPAC Name: (2S)-N-[[(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]pyrrolidine-2-carboxamide
• SMILES: O=C(NC[C@@H]1CC(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)=NO1)[C@@H]1CCCN1
• InChI: InChI=1S/C26H27FN8O4/c27-21-10-17(35-15-19(38-26(35)37)14-34-9-8-31-33-34)4-5-20(21)16-3-6-22(29-12-16)24-11-18(39-32-24)13-30-25(36)23-2-1-7-28-23/h3-6,8-10,12,18-19,23,28H,1-2,7,11,13-15H2,(H,30,36)/t18-,19-,23-/m0/s1
• InChIKey: QPBLRGQBXMDJEM-YDHSSHFGSA-N
• XLogP: 1.87
• TPSA: 135.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.55
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[(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]pyrrolidine-2-carboxamide?

The IUPAC name of (2S)-N-[[(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]pyrrolidine-2-carboxamide (CID 11570088) is (2S)-N-[[(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]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2S)-N-[[(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]pyrrolidine-2-carboxamide?

The canonical SMILES for (2S)-N-[[(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]pyrrolidine-2-carboxamide is O=C(NC[C@@H]1CC(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)=NO1)[C@@H]1CCCN1.

What is the InChIKey of (2S)-N-[[(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]pyrrolidine-2-carboxamide?

The InChIKey is QPBLRGQBXMDJEM-YDHSSHFGSA-N. The full InChI is InChI=1S/C26H27FN8O4/c27-21-10-17(35-15-19(38-26(35)37)14-34-9-8-31-33-34)4-5-20(21)16-3-6-22(29-12-16)24-11-18(39-32-24)13-30-25(36)23-2-1-7-28-23/h3-6,8-10,12,18-19,23,28H,1-2,7,11,13-15H2,(H,30,36)/t18-,19-,23-/m0/s1.

What are the key properties of (2S)-N-[[(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]pyrrolidine-2-carboxamide?

(2S)-N-[[(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]pyrrolidine-2-carboxamide has a molecular weight of 534.55 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[[(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]pyrrolidine-2-carboxamide is sourced from PubChem (CID 11570088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).