(5R)-3-[3,5-difluoro-4-(4-hydroxy-1,1-dioxothian-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

C15H17F2NO6S — CID 155004550

IUPAC(5R)-3-[3,5-difluoro-4-(4-hydroxy-1,1-dioxothian-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](CO)CN1c1cc(F)c(C2(O)CCS(=O)(=O)CC2)c(F)c1
InChIInChI=1S/C15H17F2NO6S/c16-11-5-9(18-7-10(8-19)24-14(18)20)6-12(17)13(11)15(21)1-3-25(22,23)4-2-15/h5-6,10,19,21H,1-4,7-8H2/t10-/m1/s1
InChIKeyGBXMYRHLWLGVIG-SNVBAGLBSA-N
MW377.37 g/mol
LogP0.68
Rot. Bonds3

About (5R)-3-[3,5-difluoro-4-(4-hydroxy-1,1-dioxothian-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

(5R)-3-[3,5-difluoro-4-(4-hydroxy-1,1-dioxothian-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 155004550) has the molecular formula C15H17F2NO6S and a molecular weight of 377.37 g/mol. Its IUPAC name is (5R)-3-[3,5-difluoro-4-(4-hydroxy-1,1-dioxothian-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[3,5-difluoro-4-(4-hydroxy-1,1-dioxothian-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID155004550
Molecular FormulaC15H17F2NO6S
Molecular Weight377.37 g/mol
Exact Mass377.07
IUPAC Name(5R)-3-[3,5-difluoro-4-(4-hydroxy-1,1-dioxothian-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](CO)CN1c1cc(F)c(C2(O)CCS(=O)(=O)CC2)c(F)c1
InChIInChI=1S/C15H17F2NO6S/c16-11-5-9(18-7-10(8-19)24-14(18)20)6-12(17)13(11)15(21)1-3-25(22,23)4-2-15/h5-6,10,19,21H,1-4,7-8H2/t10-/m1/s1
InChIKeyGBXMYRHLWLGVIG-SNVBAGLBSA-N
XLogP0.68
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-3-[3,5-difluoro-4-(4-fluoro-1,1-dioxothian-4-yl)phenyl]-5-ethyl-1,3-oxazolidin-2-one
CID 163420465
3-[4-(2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonan-7-yl)-3,5-difluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 175116474
(5R)-3-[3,5-difluoro-4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 126483695
(5S)-3-[3,5-difluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 10267740
3-[3,5-difluoro-4-(methoxymethoxy)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 68637564
(5R)-5-(aminomethyl)-3-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one
CID 68878196
(5R)-3-[3,5-difluoro-4-(1,5-thiazocan-5-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 126495986
(5R)-3-[3-fluoro-4-[(3-hydroxypyrrolidin-3-yl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 66776176
[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]boronic acid;methane
CID 145042333
2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzonitrile
CID 78008729
3-[4-(2,5-dihydropyrrol-1-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 123927196
(5R)-3-[3-fluoro-4-[(1S,5R)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 20788884

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3,5-difluoro-4-(4-hydroxy-1,1-dioxothian-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[3,5-difluoro-4-(4-hydroxy-1,1-dioxothian-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 155004550) is (5R)-3-[3,5-difluoro-4-(4-hydroxy-1,1-dioxothian-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[3,5-difluoro-4-(4-hydroxy-1,1-dioxothian-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[3,5-difluoro-4-(4-hydroxy-1,1-dioxothian-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is O=C1O[C@@H](CO)CN1c1cc(F)c(C2(O)CCS(=O)(=O)CC2)c(F)c1.
What is the InChIKey of (5R)-3-[3,5-difluoro-4-(4-hydroxy-1,1-dioxothian-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is GBXMYRHLWLGVIG-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17F2NO6S/c16-11-5-9(18-7-10(8-19)24-14(18)20)6-12(17)13(11)15(21)1-3-25(22,23)4-2-15/h5-6,10,19,21H,1-4,7-8H2/t10-/m1/s1.
What are the key properties of (5R)-3-[3,5-difluoro-4-(4-hydroxy-1,1-dioxothian-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
(5R)-3-[3,5-difluoro-4-(4-hydroxy-1,1-dioxothian-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 377.37 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3,5-difluoro-4-(4-hydroxy-1,1-dioxothian-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 155004550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).