(5R)-3-[3-fluoro-4-(5-oxo-4H-1,3,4-thiadiazin-2-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one

C16H13FN4O5S — CID 10309557

IUPAC(5R)-3-[3-fluoro-4-(5-oxo-4H-1,3,4-thiadiazin-2-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1CSC(c2ccc(N3C[C@H](COc4ccon4)OC3=O)cc2F)=NN1
InChIInChI=1S/C16H13FN4O5S/c17-12-5-9(1-2-11(12)15-19-18-13(22)8-27-15)21-6-10(26-16(21)23)7-24-14-3-4-25-20-14/h1-5,10H,6-8H2,(H,18,22)/t10-/m1/s1
InChIKeyJJEACDPQQOWLOJ-SNVBAGLBSA-N
MW392.37 g/mol
LogP1.74
Rot. Bonds5

About (5R)-3-[3-fluoro-4-(5-oxo-4H-1,3,4-thiadiazin-2-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one

(5R)-3-[3-fluoro-4-(5-oxo-4H-1,3,4-thiadiazin-2-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one (PubChem CID 10309557) has the molecular formula C16H13FN4O5S and a molecular weight of 392.37 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-(5-oxo-4H-1,3,4-thiadiazin-2-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[3-fluoro-4-(5-oxo-4H-1,3,4-thiadiazin-2-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
PubChem CID10309557
Molecular FormulaC16H13FN4O5S
Molecular Weight392.37 g/mol
Exact Mass392.06
IUPAC Name(5R)-3-[3-fluoro-4-(5-oxo-4H-1,3,4-thiadiazin-2-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1CSC(c2ccc(N3C[C@H](COc4ccon4)OC3=O)cc2F)=NN1
InChIInChI=1S/C16H13FN4O5S/c17-12-5-9(1-2-11(12)15-19-18-13(22)8-27-15)21-6-10(26-16(21)23)7-24-14-3-4-25-20-14/h1-5,10H,6-8H2,(H,18,22)/t10-/m1/s1
InChIKeyJJEACDPQQOWLOJ-SNVBAGLBSA-N
XLogP1.74
TPSA106.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (5R)-3-[3-fluoro-4-(5-oxo-4H-1,3,4-thiadiazin-2-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-(5-oxo-4H-1,3,4-thiadiazin-2-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[3-fluoro-4-(5-oxo-4H-1,3,4-thiadiazin-2-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one (CID 10309557) is (5R)-3-[3-fluoro-4-(5-oxo-4H-1,3,4-thiadiazin-2-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[3-fluoro-4-(5-oxo-4H-1,3,4-thiadiazin-2-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[3-fluoro-4-(5-oxo-4H-1,3,4-thiadiazin-2-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one is O=C1CSC(c2ccc(N3C[C@H](COc4ccon4)OC3=O)cc2F)=NN1.
What is the InChIKey of (5R)-3-[3-fluoro-4-(5-oxo-4H-1,3,4-thiadiazin-2-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is JJEACDPQQOWLOJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H13FN4O5S/c17-12-5-9(1-2-11(12)15-19-18-13(22)8-27-15)21-6-10(26-16(21)23)7-24-14-3-4-25-20-14/h1-5,10H,6-8H2,(H,18,22)/t10-/m1/s1.
What are the key properties of (5R)-3-[3-fluoro-4-(5-oxo-4H-1,3,4-thiadiazin-2-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?
(5R)-3-[3-fluoro-4-(5-oxo-4H-1,3,4-thiadiazin-2-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 392.37 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3-fluoro-4-(5-oxo-4H-1,3,4-thiadiazin-2-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 10309557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).