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

C16H17FN6O4 — CID 10714536

IUPACN-[[(5S)-3-[3-fluoro-4-[4-[(E)-methoxyiminomethyl]triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCO/N=C/c1cn(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)nn1
InChIInChI=1S/C16H17FN6O4/c1-10(24)18-7-13-9-22(16(25)27-13)12-3-4-15(14(17)5-12)23-8-11(20-21-23)6-19-26-2/h3-6,8,13H,7,9H2,1-2H3,(H,18,24)/b19-6+/t13-/m0/s1
InChIKeyGTUBRVXIOOUIKJ-XLYNVKOHSA-N
MW376.35 g/mol
LogP0.85
Rot. Bonds6

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

N-[[(5S)-3-[3-fluoro-4-[4-[(E)-methoxyiminomethyl]triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10714536) has the molecular formula C16H17FN6O4 and a molecular weight of 376.35 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-[(E)-methoxyiminomethyl]triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[4-[(E)-methoxyiminomethyl]triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10714536
Molecular FormulaC16H17FN6O4
Molecular Weight376.35 g/mol
Exact Mass376.13
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[4-[(E)-methoxyiminomethyl]triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCO/N=C/c1cn(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)nn1
InChIInChI=1S/C16H17FN6O4/c1-10(24)18-7-13-9-22(16(25)27-13)12-3-4-15(14(17)5-12)23-8-11(20-21-23)6-19-26-2/h3-6,8,13H,7,9H2,1-2H3,(H,18,24)/b19-6+/t13-/m0/s1
InChIKeyGTUBRVXIOOUIKJ-XLYNVKOHSA-N
XLogP0.85
TPSA110.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.35
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-[(E)-methoxyiminomethyl]triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-[(E)-methoxyiminomethyl]triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10714536) is N-[[(5S)-3-[3-fluoro-4-[4-[(E)-methoxyiminomethyl]triazol-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-[(E)-methoxyiminomethyl]triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[4-[(E)-methoxyiminomethyl]triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CO/N=C/c1cn(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)nn1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[4-[(E)-methoxyiminomethyl]triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is GTUBRVXIOOUIKJ-XLYNVKOHSA-N. The full InChI is InChI=1S/C16H17FN6O4/c1-10(24)18-7-13-9-22(16(25)27-13)12-3-4-15(14(17)5-12)23-8-11(20-21-23)6-19-26-2/h3-6,8,13H,7,9H2,1-2H3,(H,18,24)/b19-6+/t13-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[4-[(E)-methoxyiminomethyl]triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[4-[(E)-methoxyiminomethyl]triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 376.35 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[4-[(E)-methoxyiminomethyl]triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10714536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).