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

C13H13F3N2O5S — CID 14809159

IUPACN-[[(5S)-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C(=O)O1
InChIInChI=1S/C13H13F3N2O5S/c1-8(19)17-6-10-7-18(12(20)23-10)9-2-4-11(5-3-9)24(21,22)13(14,15)16/h2-5,10H,6-7H2,1H3,(H,17,19)/t10-/m0/s1
InChIKeyNDZAZTQYBOMSMF-JTQLQIEISA-N
MW366.32 g/mol
LogP1.44
Rot. Bonds4

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

N-[[(5S)-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 14809159) has the molecular formula C13H13F3N2O5S and a molecular weight of 366.32 g/mol. Its IUPAC name is N-[[(5S)-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID14809159
Molecular FormulaC13H13F3N2O5S
Molecular Weight366.32 g/mol
Exact Mass366.05
IUPAC NameN-[[(5S)-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C(=O)O1
InChIInChI=1S/C13H13F3N2O5S/c1-8(19)17-6-10-7-18(12(20)23-10)9-2-4-11(5-3-9)24(21,22)13(14,15)16/h2-5,10H,6-7H2,1H3,(H,17,19)/t10-/m0/s1
InChIKeyNDZAZTQYBOMSMF-JTQLQIEISA-N
XLogP1.44
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide (CID 14809159) is N-[[(5S)-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C(=O)O1.
What is the InChIKey of N-[[(5S)-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is NDZAZTQYBOMSMF-JTQLQIEISA-N. The full InChI is InChI=1S/C13H13F3N2O5S/c1-8(19)17-6-10-7-18(12(20)23-10)9-2-4-11(5-3-9)24(21,22)13(14,15)16/h2-5,10H,6-7H2,1H3,(H,17,19)/t10-/m0/s1.
What are the key properties of N-[[(5S)-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 366.32 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 14809159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).