N-[[(5S)-3-[4-(fluoromethylsulfonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C13H15FN2O5S — CID 14809157

IUPACN-[[(5S)-3-[4-(fluoromethylsulfonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(S(=O)(=O)CF)cc2)C(=O)O1
InChIInChI=1S/C13H15FN2O5S/c1-9(17)15-6-11-7-16(13(18)21-11)10-2-4-12(5-3-10)22(19,20)8-14/h2-5,11H,6-8H2,1H3,(H,15,17)/t11-/m0/s1
InChIKeyXQRCQLUSTRGNEX-NSHDSACASA-N
MW330.34 g/mol
LogP0.85
Rot. Bonds5

About N-[[(5S)-3-[4-(fluoromethylsulfonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-(fluoromethylsulfonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 14809157) has the molecular formula C13H15FN2O5S and a molecular weight of 330.34 g/mol. Its IUPAC name is N-[[(5S)-3-[4-(fluoromethylsulfonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-(fluoromethylsulfonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID14809157
Molecular FormulaC13H15FN2O5S
Molecular Weight330.34 g/mol
Exact Mass330.07
IUPAC NameN-[[(5S)-3-[4-(fluoromethylsulfonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(S(=O)(=O)CF)cc2)C(=O)O1
InChIInChI=1S/C13H15FN2O5S/c1-9(17)15-6-11-7-16(13(18)21-11)10-2-4-12(5-3-10)22(19,20)8-14/h2-5,11H,6-8H2,1H3,(H,15,17)/t11-/m0/s1
InChIKeyXQRCQLUSTRGNEX-NSHDSACASA-N
XLogP0.85
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-(fluoromethylsulfonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-(fluoromethylsulfonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 14809157) is N-[[(5S)-3-[4-(fluoromethylsulfonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-(fluoromethylsulfonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-(fluoromethylsulfonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(S(=O)(=O)CF)cc2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-(fluoromethylsulfonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is XQRCQLUSTRGNEX-NSHDSACASA-N. The full InChI is InChI=1S/C13H15FN2O5S/c1-9(17)15-6-11-7-16(13(18)21-11)10-2-4-12(5-3-10)22(19,20)8-14/h2-5,11H,6-8H2,1H3,(H,15,17)/t11-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-(fluoromethylsulfonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-(fluoromethylsulfonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 330.34 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-(fluoromethylsulfonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 14809157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).