(5R)-3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3,5-trifluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2,3,5-trifluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-oxazolidin-2-one

C59H53F9N8O19S — CID 160847336

About (5R)-3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3,5-trifluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2,3,5-trifluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-oxazolidin-2-one

(5R)-3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3,5-trifluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2,3,5-trifluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 160847336) has the molecular formula C59H53F9N8O19S and a molecular weight of 1381.16 g/mol. Its IUPAC name is (5R)-3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3,5-trifluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2,3,5-trifluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5R)-3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3,5-trifluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2,3,5-trifluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-oxazolidin-2-one
• PubChem CID: 160847336
• Molecular Formula: C59H53F9N8O19S
• Molecular Weight: 1381.16 g/mol
• Exact Mass: 1380.30
• IUPAC Name: (5R)-3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3,5-trifluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2,3,5-trifluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-oxazolidin-2-one
• SMILES: O=C(CO)N1CC=C(c2c(F)cc(N3C[C@H](COc4ccon4)OC3=O)c(F)c2F)CC1.O=C([C@@H](O)CO)N1CC=C(c2c(F)cc(N3C[C@H](COc4ccon4)OC3=O)c(F)c2F)CC1.O=C1O[C@@H](COc2ccon2)CN1c1cc(F)c(C2=CCS(=O)(=O)CC2)c(F)c1F
• InChI: InChI=1S/C21H20F3N3O7.C20H18F3N3O6.C18H15F3N2O6S/c22-13-7-14(27-8-12(34-21(27)31)10-32-16-3-6-33-25-16)18(23)19(24)17(13)11-1-4-26(5-2-11)20(30)15(29)9-28;21-13-7-14(26-8-12(32-20(26)29)10-30-15-3-6-31-24-15)18(22)19(23)17(13)11-1-4-25(5-2-11)16(28)9-27;19-12-7-13(16(20)17(21)15(12)10-2-5-30(25,26)6-3-10)23-8-11(29-18(23)24)9-27-14-1-4-28-22-14/h1,3,6-7,12,15,28-29H,2,4-5,8-10H2;1,3,6-7,12,27H,2,4-5,8-10H2;1-2,4,7,11H,3,5-6,8-9H2/t12-,15+;12-;11-/m111/s1
• InChIKey: SIUSBQKNHDSKAE-HGCALYSXSA-N
• XLogP: 6.27
• TPSA: 329.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1381.16
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3,5-trifluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2,3,5-trifluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-oxazolidin-2-one?

The IUPAC name of (5R)-3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3,5-trifluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2,3,5-trifluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-oxazolidin-2-one (CID 160847336) is (5R)-3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3,5-trifluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2,3,5-trifluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (5R)-3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3,5-trifluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2,3,5-trifluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (5R)-3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3,5-trifluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2,3,5-trifluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-oxazolidin-2-one is O=C(CO)N1CC=C(c2c(F)cc(N3C[C@H](COc4ccon4)OC3=O)c(F)c2F)CC1.O=C([C@@H](O)CO)N1CC=C(c2c(F)cc(N3C[C@H](COc4ccon4)OC3=O)c(F)c2F)CC1.O=C1O[C@@H](COc2ccon2)CN1c1cc(F)c(C2=CCS(=O)(=O)CC2)c(F)c1F.

What is the InChIKey of (5R)-3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3,5-trifluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2,3,5-trifluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-oxazolidin-2-one?

The InChIKey is SIUSBQKNHDSKAE-HGCALYSXSA-N. The full InChI is InChI=1S/C21H20F3N3O7.C20H18F3N3O6.C18H15F3N2O6S/c22-13-7-14(27-8-12(34-21(27)31)10-32-16-3-6-33-25-16)18(23)19(24)17(13)11-1-4-26(5-2-11)20(30)15(29)9-28;21-13-7-14(26-8-12(32-20(26)29)10-30-15-3-6-31-24-15)18(22)19(23)17(13)11-1-4-25(5-2-11)16(28)9-27;19-12-7-13(16(20)17(21)15(12)10-2-5-30(25,26)6-3-10)23-8-11(29-18(23)24)9-27-14-1-4-28-22-14/h1,3,6-7,12,15,28-29H,2,4-5,8-10H2;1,3,6-7,12,27H,2,4-5,8-10H2;1-2,4,7,11H,3,5-6,8-9H2/t12-,15+;12-;11-/m111/s1.

What are the key properties of (5R)-3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3,5-trifluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2,3,5-trifluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-oxazolidin-2-one?

(5R)-3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3,5-trifluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2,3,5-trifluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 1381.16 g/mol, XLogP of 6.27, 18 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3,5-trifluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2,3,5-trifluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 160847336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).