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

C13H13F3N2O3S — CID 14809143

IUPACN-[[(5S)-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(SC(F)(F)F)cc2)C(=O)O1
InChIInChI=1S/C13H13F3N2O3S/c1-8(19)17-6-10-7-18(12(20)21-10)9-2-4-11(5-3-9)22-13(14,15)16/h2-5,10H,6-7H2,1H3,(H,17,19)/t10-/m0/s1
InChIKeyKEAMBBRXDKEBOG-JTQLQIEISA-N
MW334.32 g/mol
LogP2.76
Rot. Bonds4

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

N-[[(5S)-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 14809143) has the molecular formula C13H13F3N2O3S and a molecular weight of 334.32 g/mol. Its IUPAC name is N-[[(5S)-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID14809143
Molecular FormulaC13H13F3N2O3S
Molecular Weight334.32 g/mol
Exact Mass334.06
IUPAC NameN-[[(5S)-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(SC(F)(F)F)cc2)C(=O)O1
InChIInChI=1S/C13H13F3N2O3S/c1-8(19)17-6-10-7-18(12(20)21-10)9-2-4-11(5-3-9)22-13(14,15)16/h2-5,10H,6-7H2,1H3,(H,17,19)/t10-/m0/s1
InChIKeyKEAMBBRXDKEBOG-JTQLQIEISA-N
XLogP2.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Sutezolid
CID 465951
Dup-105
CID 57141
N-[[3-(4-methylsulfinylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 9971790
N-[[(5S)-3-(4-aminophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10037682
N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10353985
(S)-N-[[3-(3-Fluorophenyl)-2-oxo-5-oxazolidinyl]methyl]acetamide
CID 11345751
5-(Aminomethyl)-3-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one
CID 14011249
N-[[3-(4-methylsulfonylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14011257
N-[[3-(4-methylsulfanylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14011273
N-[[(5S)-3-(4-methylsulfanylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14011274
N-{[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide
CID 14011318
N-((2-oxo-3-phenyloxazolidin-5-yl)methyl)acetamide
CID 14011345

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide (CID 14809143) is N-[[(5S)-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(SC(F)(F)F)cc2)C(=O)O1.
What is the InChIKey of N-[[(5S)-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is KEAMBBRXDKEBOG-JTQLQIEISA-N. The full InChI is InChI=1S/C13H13F3N2O3S/c1-8(19)17-6-10-7-18(12(20)21-10)9-2-4-11(5-3-9)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-(trifluoromethylsulfanyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 334.32 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 14809143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).