(5R)-3-[4-[6-[(5S)-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]pyridin-1-ium-3-yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C25H27FN7O5S+ — CID 143143117

About (5R)-3-[4-[6-[(5S)-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]pyridin-1-ium-3-yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

(5R)-3-[4-[6-[(5S)-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]pyridin-1-ium-3-yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 143143117) has the molecular formula C25H27FN7O5S+ and a molecular weight of 556.60 g/mol. Its IUPAC name is (5R)-3-[4-[6-[(5S)-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]pyridin-1-ium-3-yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5R)-3-[4-[6-[(5S)-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]pyridin-1-ium-3-yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
• PubChem CID: 143143117
• Molecular Formula: C25H27FN7O5S+
• Molecular Weight: 556.60 g/mol
• Exact Mass: 556.18
• IUPAC Name: (5R)-3-[4-[6-[(5S)-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]pyridin-1-ium-3-yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
• SMILES: O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(C3=NO[C@H](CN4CCS(=O)(=O)CC4)C3)[nH+]c2)c(F)c1
• InChI: InChI=1S/C25H26FN7O5S/c26-22-11-18(33-16-20(37-25(33)34)15-32-6-5-28-30-32)2-3-21(22)17-1-4-23(27-13-17)24-12-19(38-29-24)14-31-7-9-39(35,36)10-8-31/h1-6,11,13,19-20H,7-10,12,14-16H2/p+1/t19-,20-/m0/s1
• InChIKey: GHOXIDLBKPVYGI-PMACEKPBSA-O
• XLogP: 1.15
• TPSA: 133.36 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	556.60
LogP ≤ 5	1.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[4-[6-[(5S)-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]pyridin-1-ium-3-yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?

The IUPAC name of (5R)-3-[4-[6-[(5S)-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]pyridin-1-ium-3-yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 143143117) is (5R)-3-[4-[6-[(5S)-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]pyridin-1-ium-3-yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

What is the SMILES notation for (5R)-3-[4-[6-[(5S)-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]pyridin-1-ium-3-yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?

The canonical SMILES for (5R)-3-[4-[6-[(5S)-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]pyridin-1-ium-3-yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(C3=NO[C@H](CN4CCS(=O)(=O)CC4)C3)[nH+]c2)c(F)c1.

What is the InChIKey of (5R)-3-[4-[6-[(5S)-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]pyridin-1-ium-3-yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?

The InChIKey is GHOXIDLBKPVYGI-PMACEKPBSA-O. The full InChI is InChI=1S/C25H26FN7O5S/c26-22-11-18(33-16-20(37-25(33)34)15-32-6-5-28-30-32)2-3-21(22)17-1-4-23(27-13-17)24-12-19(38-29-24)14-31-7-9-39(35,36)10-8-31/h1-6,11,13,19-20H,7-10,12,14-16H2/p+1/t19-,20-/m0/s1.

What are the key properties of (5R)-3-[4-[6-[(5S)-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]pyridin-1-ium-3-yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?

(5R)-3-[4-[6-[(5S)-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]pyridin-1-ium-3-yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 556.60 g/mol, XLogP of 1.15, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-[4-[6-[(5S)-5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]pyridin-1-ium-3-yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 143143117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).