(5R)-3-[4-[(1S,3S,4R)-3,4-dihydroxycyclohexyl]-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-[(1S,4R)-3-fluoro-4-hydroxycyclohexyl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-(4-hydroxycyclohexyl)phenyl]-1,3-oxazolidin-2-one

C57H56F10N6O16 — CID 162264465

About (5R)-3-[4-[(1S,3S,4R)-3,4-dihydroxycyclohexyl]-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-[(1S,4R)-3-fluoro-4-hydroxycyclohexyl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-(4-hydroxycyclohexyl)phenyl]-1,3-oxazolidin-2-one

(5R)-3-[4-[(1S,3S,4R)-3,4-dihydroxycyclohexyl]-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-[(1S,4R)-3-fluoro-4-hydroxycyclohexyl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-(4-hydroxycyclohexyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 162264465) has the molecular formula C57H56F10N6O16 and a molecular weight of 1271.08 g/mol. Its IUPAC name is (5R)-3-[4-[(1S,3S,4R)-3,4-dihydroxycyclohexyl]-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-[(1S,4R)-3-fluoro-4-hydroxycyclohexyl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-(4-hydroxycyclohexyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5R)-3-[4-[(1S,3S,4R)-3,4-dihydroxycyclohexyl]-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-[(1S,4R)-3-fluoro-4-hydroxycyclohexyl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-(4-hydroxycyclohexyl)phenyl]-1,3-oxazolidin-2-one
• PubChem CID: 162264465
• Molecular Formula: C57H56F10N6O16
• Molecular Weight: 1271.08 g/mol
• Exact Mass: 1270.36
• IUPAC Name: (5R)-3-[4-[(1S,3S,4R)-3,4-dihydroxycyclohexyl]-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-[(1S,4R)-3-fluoro-4-hydroxycyclohexyl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-(4-hydroxycyclohexyl)phenyl]-1,3-oxazolidin-2-one
• SMILES: O=C1O[C@@H](COc2ccon2)CN1c1cc(F)c(C2CCC(O)CC2)c(F)c1F.O=C1O[C@@H](COc2ccon2)CN1c1cc(F)c([C@H]2CC[C@@H](O)C(F)C2)c(F)c1F.O=C1O[C@@H](COc2ccon2)CN1c1cc(F)c([C@H]2CC[C@@H](O)[C@@H](O)C2)c(F)c1F
• InChI: InChI=1S/C19H18F4N2O5.C19H19F3N2O6.C19H19F3N2O5/c20-11-5-9(1-2-14(11)26)16-12(21)6-13(17(22)18(16)23)25-7-10(30-19(25)27)8-28-15-3-4-29-24-15;20-11-6-12(17(21)18(22)16(11)9-1-2-13(25)14(26)5-9)24-7-10(30-19(24)27)8-28-15-3-4-29-23-15;20-13-7-14(17(21)18(22)16(13)10-1-3-11(25)4-2-10)24-8-12(29-19(24)26)9-27-15-5-6-28-23-15/h3-4,6,9-11,14,26H,1-2,5,7-8H2;3-4,6,9-10,13-14,25-26H,1-2,5,7-8H2;5-7,10-12,25H,1-4,8-9H2/t9-,10+,11?,14+;9-,10+,13+,14-;10?,11?,12-/m001/s1
• InChIKey: ZZRZLDPHEUAPJW-AOORWGGPSA-N
• XLogP: 9.46
• TPSA: 275.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1271.08
LogP ≤ 5	9.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

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-[(1S,3S,4R)-3,4-dihydroxycyclohexyl]-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-[(1S,4R)-3-fluoro-4-hydroxycyclohexyl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-(4-hydroxycyclohexyl)phenyl]-1,3-oxazolidin-2-one?

The IUPAC name of (5R)-3-[4-[(1S,3S,4R)-3,4-dihydroxycyclohexyl]-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-[(1S,4R)-3-fluoro-4-hydroxycyclohexyl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-(4-hydroxycyclohexyl)phenyl]-1,3-oxazolidin-2-one (CID 162264465) is (5R)-3-[4-[(1S,3S,4R)-3,4-dihydroxycyclohexyl]-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-[(1S,4R)-3-fluoro-4-hydroxycyclohexyl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-(4-hydroxycyclohexyl)phenyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (5R)-3-[4-[(1S,3S,4R)-3,4-dihydroxycyclohexyl]-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-[(1S,4R)-3-fluoro-4-hydroxycyclohexyl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-(4-hydroxycyclohexyl)phenyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (5R)-3-[4-[(1S,3S,4R)-3,4-dihydroxycyclohexyl]-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-[(1S,4R)-3-fluoro-4-hydroxycyclohexyl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-(4-hydroxycyclohexyl)phenyl]-1,3-oxazolidin-2-one is O=C1O[C@@H](COc2ccon2)CN1c1cc(F)c(C2CCC(O)CC2)c(F)c1F.O=C1O[C@@H](COc2ccon2)CN1c1cc(F)c([C@H]2CC[C@@H](O)C(F)C2)c(F)c1F.O=C1O[C@@H](COc2ccon2)CN1c1cc(F)c([C@H]2CC[C@@H](O)[C@@H](O)C2)c(F)c1F.

What is the InChIKey of (5R)-3-[4-[(1S,3S,4R)-3,4-dihydroxycyclohexyl]-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-[(1S,4R)-3-fluoro-4-hydroxycyclohexyl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-(4-hydroxycyclohexyl)phenyl]-1,3-oxazolidin-2-one?

The InChIKey is ZZRZLDPHEUAPJW-AOORWGGPSA-N. The full InChI is InChI=1S/C19H18F4N2O5.C19H19F3N2O6.C19H19F3N2O5/c20-11-5-9(1-2-14(11)26)16-12(21)6-13(17(22)18(16)23)25-7-10(30-19(25)27)8-28-15-3-4-29-24-15;20-11-6-12(17(21)18(22)16(11)9-1-2-13(25)14(26)5-9)24-7-10(30-19(24)27)8-28-15-3-4-29-23-15;20-13-7-14(17(21)18(22)16(13)10-1-3-11(25)4-2-10)24-8-12(29-19(24)26)9-27-15-5-6-28-23-15/h3-4,6,9-11,14,26H,1-2,5,7-8H2;3-4,6,9-10,13-14,25-26H,1-2,5,7-8H2;5-7,10-12,25H,1-4,8-9H2/t9-,10+,11?,14+;9-,10+,13+,14-;10?,11?,12-/m001/s1.

What are the key properties of (5R)-3-[4-[(1S,3S,4R)-3,4-dihydroxycyclohexyl]-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-[(1S,4R)-3-fluoro-4-hydroxycyclohexyl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-(4-hydroxycyclohexyl)phenyl]-1,3-oxazolidin-2-one?

(5R)-3-[4-[(1S,3S,4R)-3,4-dihydroxycyclohexyl]-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-[(1S,4R)-3-fluoro-4-hydroxycyclohexyl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-(4-hydroxycyclohexyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 1271.08 g/mol, XLogP of 9.46, 15 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-[4-[(1S,3S,4R)-3,4-dihydroxycyclohexyl]-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-[(1S,4R)-3-fluoro-4-hydroxycyclohexyl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-(4-hydroxycyclohexyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 162264465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).