(5R)-3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-(4-bromo-3-fluorophenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;2-[[(5R)-3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one;(5R)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;2-[[(5R)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one;1,2-oxazol-3-one

C79H66Br3F5N10O21S2 — CID 159043765

About (5R)-3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-(4-bromo-3-fluorophenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;2-[[(5R)-3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one;(5R)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;2-[[(5R)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one;1,2-oxazol-3-one

(5R)-3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-(4-bromo-3-fluorophenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;2-[[(5R)-3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one;(5R)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;2-[[(5R)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one;1,2-oxazol-3-one (PubChem CID 159043765) has the molecular formula C79H66Br3F5N10O21S2 and a molecular weight of 1890.28 g/mol. Its IUPAC name is (5R)-3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-(4-bromo-3-fluorophenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;2-[[(5R)-3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one;(5R)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;2-[[(5R)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one;1,2-oxazol-3-one.

Molecular Properties

• Compound Name: (5R)-3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-(4-bromo-3-fluorophenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;2-[[(5R)-3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one;(5R)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;2-[[(5R)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one;1,2-oxazol-3-one
• PubChem CID: 159043765
• Molecular Formula: C79H66Br3F5N10O21S2
• Molecular Weight: 1890.28 g/mol
• Exact Mass: 1886.13
• IUPAC Name: (5R)-3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-(4-bromo-3-fluorophenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;2-[[(5R)-3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one;(5R)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;2-[[(5R)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one;1,2-oxazol-3-one
• SMILES: CSc1ccc(-c2ccc(N3C[C@H](COc4ccon4)OC3=O)cc2F)cc1.CSc1ccc(-c2ccc(N3C[C@H](Cn4occc4=O)OC3=O)cc2F)cc1.O=C1O[C@@H](CO)CN1c1ccc(Br)c(F)c1.O=C1O[C@@H](COc2ccon2)CN1c1ccc(Br)c(F)c1.O=C1O[C@@H](Cn2occc2=O)CN1c1ccc(Br)c(F)c1.O=c1cco[nH]1
• InChI: InChI=1S/2C20H17FN2O4S.2C13H10BrFN2O4.C10H9BrFNO3.C3H3NO2/c1-28-16-5-2-13(3-6-16)17-7-4-14(10-18(17)21)23-11-15(27-20(23)24)12-25-19-8-9-26-22-19;1-28-16-5-2-13(3-6-16)17-7-4-14(10-18(17)21)22-11-15(27-20(22)25)12-23-19(24)8-9-26-23;14-10-2-1-8(5-11(10)15)17-6-9(21-13(17)18)7-19-12-3-4-20-16-12;14-10-2-1-8(5-11(10)15)16-6-9(21-13(16)19)7-17-12(18)3-4-20-17;11-8-2-1-6(3-9(8)12)13-4-7(5-14)16-10(13)15;5-3-1-2-6-4-3/h2*2-10,15H,11-12H2,1H3;2*1-5,9H,6-7H2;1-3,7,14H,4-5H2;1-2H,(H,4,5)/t2*15-;2*9-;7-;/m11111./s1
• InChIKey: JWKAHBDCZOIWFK-CMYOIILZSA-N
• XLogP: 15.82
• TPSA: 354.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1890.28
LogP ≤ 5	15.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-(4-bromo-3-fluorophenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;2-[[(5R)-3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one;(5R)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;2-[[(5R)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one;1,2-oxazol-3-one?

The IUPAC name of (5R)-3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-(4-bromo-3-fluorophenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;2-[[(5R)-3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one;(5R)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;2-[[(5R)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one;1,2-oxazol-3-one (CID 159043765) is (5R)-3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-(4-bromo-3-fluorophenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;2-[[(5R)-3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one;(5R)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;2-[[(5R)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one;1,2-oxazol-3-one.

What is the SMILES notation for (5R)-3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-(4-bromo-3-fluorophenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;2-[[(5R)-3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one;(5R)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;2-[[(5R)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one;1,2-oxazol-3-one?

The canonical SMILES for (5R)-3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-(4-bromo-3-fluorophenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;2-[[(5R)-3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one;(5R)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;2-[[(5R)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one;1,2-oxazol-3-one is CSc1ccc(-c2ccc(N3C[C@H](COc4ccon4)OC3=O)cc2F)cc1.CSc1ccc(-c2ccc(N3C[C@H](Cn4occc4=O)OC3=O)cc2F)cc1.O=C1O[C@@H](CO)CN1c1ccc(Br)c(F)c1.O=C1O[C@@H](COc2ccon2)CN1c1ccc(Br)c(F)c1.O=C1O[C@@H](Cn2occc2=O)CN1c1ccc(Br)c(F)c1.O=c1cco[nH]1.

What is the InChIKey of (5R)-3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-(4-bromo-3-fluorophenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;2-[[(5R)-3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one;(5R)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;2-[[(5R)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one;1,2-oxazol-3-one?

The InChIKey is JWKAHBDCZOIWFK-CMYOIILZSA-N. The full InChI is InChI=1S/2C20H17FN2O4S.2C13H10BrFN2O4.C10H9BrFNO3.C3H3NO2/c1-28-16-5-2-13(3-6-16)17-7-4-14(10-18(17)21)23-11-15(27-20(23)24)12-25-19-8-9-26-22-19;1-28-16-5-2-13(3-6-16)17-7-4-14(10-18(17)21)22-11-15(27-20(22)25)12-23-19(24)8-9-26-23;14-10-2-1-8(5-11(10)15)17-6-9(21-13(17)18)7-19-12-3-4-20-16-12;14-10-2-1-8(5-11(10)15)16-6-9(21-13(16)19)7-17-12(18)3-4-20-17;11-8-2-1-6(3-9(8)12)13-4-7(5-14)16-10(13)15;5-3-1-2-6-4-3/h2*2-10,15H,11-12H2,1H3;2*1-5,9H,6-7H2;1-3,7,14H,4-5H2;1-2H,(H,4,5)/t2*15-;2*9-;7-;/m11111./s1.

What are the key properties of (5R)-3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-(4-bromo-3-fluorophenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;2-[[(5R)-3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one;(5R)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;2-[[(5R)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one;1,2-oxazol-3-one?

(5R)-3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-(4-bromo-3-fluorophenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;2-[[(5R)-3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one;(5R)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;2-[[(5R)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one;1,2-oxazol-3-one has a molecular weight of 1890.28 g/mol, XLogP of 15.82, 20 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-(4-bromo-3-fluorophenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;2-[[(5R)-3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one;(5R)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;2-[[(5R)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one;1,2-oxazol-3-one is sourced from PubChem (CID 159043765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).