(4S,5R)-4-(fluoromethyl)-5-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one

C11H12FNO4S — CID 11076589

IUPAC(4S,5R)-4-(fluoromethyl)-5-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one
SMILESCS(=O)(=O)c1ccc([C@H]2OC(=O)N[C@@H]2CF)cc1
InChIInChI=1S/C11H12FNO4S/c1-18(15,16)8-4-2-7(3-5-8)10-9(6-12)13-11(14)17-10/h2-5,9-10H,6H2,1H3,(H,13,14)/t9-,10-/m1/s1
InChIKeyHGNFYIACCDTMRG-NXEZZACHSA-N
MW273.29 g/mol
LogP1.21
Rot. Bonds3

About (4S,5R)-4-(fluoromethyl)-5-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one

(4S,5R)-4-(fluoromethyl)-5-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one (PubChem CID 11076589) has the molecular formula C11H12FNO4S and a molecular weight of 273.29 g/mol. Its IUPAC name is (4S,5R)-4-(fluoromethyl)-5-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-(fluoromethyl)-5-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one
PubChem CID11076589
Molecular FormulaC11H12FNO4S
Molecular Weight273.29 g/mol
Exact Mass273.05
IUPAC Name(4S,5R)-4-(fluoromethyl)-5-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one
SMILESCS(=O)(=O)c1ccc([C@H]2OC(=O)N[C@@H]2CF)cc1
InChIInChI=1S/C11H12FNO4S/c1-18(15,16)8-4-2-7(3-5-8)10-9(6-12)13-11(14)17-10/h2-5,9-10H,6H2,1H3,(H,13,14)/t9-,10-/m1/s1
InChIKeyHGNFYIACCDTMRG-NXEZZACHSA-N
XLogP1.21
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-(fluoromethyl)-5-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-4-(fluoromethyl)-5-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one (CID 11076589) is (4S,5R)-4-(fluoromethyl)-5-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-4-(fluoromethyl)-5-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-4-(fluoromethyl)-5-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one is CS(=O)(=O)c1ccc([C@H]2OC(=O)N[C@@H]2CF)cc1.
What is the InChIKey of (4S,5R)-4-(fluoromethyl)-5-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is HGNFYIACCDTMRG-NXEZZACHSA-N. The full InChI is InChI=1S/C11H12FNO4S/c1-18(15,16)8-4-2-7(3-5-8)10-9(6-12)13-11(14)17-10/h2-5,9-10H,6H2,1H3,(H,13,14)/t9-,10-/m1/s1.
What are the key properties of (4S,5R)-4-(fluoromethyl)-5-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one?
(4S,5R)-4-(fluoromethyl)-5-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 273.29 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-(fluoromethyl)-5-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11076589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).