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

C20H23FN4O3Si — CID 10525860

IUPACN-[[(5S)-3-[3-fluoro-4-[4-(2-trimethylsilylethynyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-n3cc(C#C[Si](C)(C)C)cn3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H23FN4O3Si/c1-14(26)22-11-17-13-24(20(27)28-17)16-5-6-19(18(21)9-16)25-12-15(10-23-25)7-8-29(2,3)4/h5-6,9-10,12,17H,11,13H2,1-4H3,(H,22,26)/t17-/m0/s1
InChIKeyZSYUXFYWUGLFGN-KRWDZBQOSA-N
MW414.51 g/mol
LogP2.70
Rot. Bonds4

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

N-[[(5S)-3-[3-fluoro-4-[4-(2-trimethylsilylethynyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10525860) has the molecular formula C20H23FN4O3Si and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-(2-trimethylsilylethynyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[4-(2-trimethylsilylethynyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10525860
Molecular FormulaC20H23FN4O3Si
Molecular Weight414.51 g/mol
Exact Mass414.15
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[4-(2-trimethylsilylethynyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-n3cc(C#C[Si](C)(C)C)cn3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H23FN4O3Si/c1-14(26)22-11-17-13-24(20(27)28-17)16-5-6-19(18(21)9-16)25-12-15(10-23-25)7-8-29(2,3)4/h5-6,9-10,12,17H,11,13H2,1-4H3,(H,22,26)/t17-/m0/s1
InChIKeyZSYUXFYWUGLFGN-KRWDZBQOSA-N
XLogP2.70
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-(2-trimethylsilylethynyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-(2-trimethylsilylethynyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10525860) is N-[[(5S)-3-[3-fluoro-4-[4-(2-trimethylsilylethynyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[4-(2-trimethylsilylethynyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[4-(2-trimethylsilylethynyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-n3cc(C#C[Si](C)(C)C)cn3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[4-(2-trimethylsilylethynyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is ZSYUXFYWUGLFGN-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23FN4O3Si/c1-14(26)22-11-17-13-24(20(27)28-17)16-5-6-19(18(21)9-16)25-12-15(10-23-25)7-8-29(2,3)4/h5-6,9-10,12,17H,11,13H2,1-4H3,(H,22,26)/t17-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[4-(2-trimethylsilylethynyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[4-(2-trimethylsilylethynyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 414.51 g/mol, XLogP of 2.70, 4 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-[4-(2-trimethylsilylethynyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10525860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).