N-[[(5S)-3-[3-fluoro-4-[(Z)-2-fluoro-2-(1,3-thiazol-2-yl)ethenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C17H15F2N3O3S — CID 10134297

IUPACN-[[(5S)-3-[3-fluoro-4-[(Z)-2-fluoro-2-(1,3-thiazol-2-yl)ethenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(/C=C(\F)c3nccs3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H15F2N3O3S/c1-10(23)21-8-13-9-22(17(24)25-13)12-3-2-11(14(18)7-12)6-15(19)16-20-4-5-26-16/h2-7,13H,8-9H2,1H3,(H,21,23)/b15-6-/t13-/m0/s1
InChIKeyOQNBLVTWKOOOKT-NOAOUHAHSA-N
MW379.39 g/mol
LogP3.21
Rot. Bonds5

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

N-[[(5S)-3-[3-fluoro-4-[(Z)-2-fluoro-2-(1,3-thiazol-2-yl)ethenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10134297) has the molecular formula C17H15F2N3O3S and a molecular weight of 379.39 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[(Z)-2-fluoro-2-(1,3-thiazol-2-yl)ethenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[(Z)-2-fluoro-2-(1,3-thiazol-2-yl)ethenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10134297
Molecular FormulaC17H15F2N3O3S
Molecular Weight379.39 g/mol
Exact Mass379.08
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[(Z)-2-fluoro-2-(1,3-thiazol-2-yl)ethenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(/C=C(\F)c3nccs3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H15F2N3O3S/c1-10(23)21-8-13-9-22(17(24)25-13)12-3-2-11(14(18)7-12)6-15(19)16-20-4-5-26-16/h2-7,13H,8-9H2,1H3,(H,21,23)/b15-6-/t13-/m0/s1
InChIKeyOQNBLVTWKOOOKT-NOAOUHAHSA-N
XLogP3.21
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(5S)-3-[3-fluoro-4-[(Z)-2-fluoro-2-(1,3-thiazol-2-yl)ethenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[(Z)-2-fluoro-2-(1,3-thiazol-2-yl)ethenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[(Z)-2-fluoro-2-(1,3-thiazol-2-yl)ethenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10134297) is N-[[(5S)-3-[3-fluoro-4-[(Z)-2-fluoro-2-(1,3-thiazol-2-yl)ethenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[(Z)-2-fluoro-2-(1,3-thiazol-2-yl)ethenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[(Z)-2-fluoro-2-(1,3-thiazol-2-yl)ethenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(/C=C(\F)c3nccs3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[(Z)-2-fluoro-2-(1,3-thiazol-2-yl)ethenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is OQNBLVTWKOOOKT-NOAOUHAHSA-N. The full InChI is InChI=1S/C17H15F2N3O3S/c1-10(23)21-8-13-9-22(17(24)25-13)12-3-2-11(14(18)7-12)6-15(19)16-20-4-5-26-16/h2-7,13H,8-9H2,1H3,(H,21,23)/b15-6-/t13-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[(Z)-2-fluoro-2-(1,3-thiazol-2-yl)ethenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[(Z)-2-fluoro-2-(1,3-thiazol-2-yl)ethenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 379.39 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[(Z)-2-fluoro-2-(1,3-thiazol-2-yl)ethenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10134297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).