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

C23H25FN4O5 — CID 155541515

IUPACN-[[(5S)-3-[3-fluoro-4-[3-hydroxy-4-[(E)-morpholin-4-yliminomethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(/C=N/N4CCOCC4)c(O)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C23H25FN4O5/c1-15(29)25-13-19-14-28(23(31)33-19)18-4-5-20(21(24)11-18)16-2-3-17(22(30)10-16)12-26-27-6-8-32-9-7-27/h2-5,10-12,19,30H,6-9,13-14H2,1H3,(H,25,29)/b26-12+/t19-/m0/s1
InChIKeySETDQIPVJSZJSM-XDWZDTHNSA-N
MW456.47 g/mol
LogP2.33
Rot. Bonds6

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

N-[[(5S)-3-[3-fluoro-4-[3-hydroxy-4-[(E)-morpholin-4-yliminomethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 155541515) has the molecular formula C23H25FN4O5 and a molecular weight of 456.47 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[3-hydroxy-4-[(E)-morpholin-4-yliminomethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[3-hydroxy-4-[(E)-morpholin-4-yliminomethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID155541515
Molecular FormulaC23H25FN4O5
Molecular Weight456.47 g/mol
Exact Mass456.18
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[3-hydroxy-4-[(E)-morpholin-4-yliminomethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(/C=N/N4CCOCC4)c(O)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C23H25FN4O5/c1-15(29)25-13-19-14-28(23(31)33-19)18-4-5-20(21(24)11-18)16-2-3-17(22(30)10-16)12-26-27-6-8-32-9-7-27/h2-5,10-12,19,30H,6-9,13-14H2,1H3,(H,25,29)/b26-12+/t19-/m0/s1
InChIKeySETDQIPVJSZJSM-XDWZDTHNSA-N
XLogP2.33
TPSA103.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[[(5S)-3-[3-fluoro-4-[3-methoxy-4-[(E)-morpholin-4-yliminomethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 155526025
N-[[3-[3-fluoro-4-[4-(hydroxyiminomethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 173196227
N-[[(5S)-3-[4-[6-[(E)-(1,1-dioxo-1,4-thiazinan-4-yl)iminomethyl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 155532476
N-[[3-[4-[4-[(carbamoylhydrazinylidene)methyl]-3-methylphenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 175394497
N-[[3-[3-fluoro-4-(3-fluorophenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142987396
strontium;N-[[(5S)-3-[3-fluoro-4-(4-methanidylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;hydride
CID 173478166
N-[[(5S)-3-[3-fluoro-4-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23403888
N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
N-[[3-[4-(4-cyanophenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 69098886
N-[[3-[3-fluoro-4-(4-isocyanophenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23404253
N-[[3-[3-fluoro-4-(3-fluoro-4-piperazin-1-ylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68938305
N-[[3-[3-fluoro-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22274293

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[3-hydroxy-4-[(E)-morpholin-4-yliminomethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[3-hydroxy-4-[(E)-morpholin-4-yliminomethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 155541515) is N-[[(5S)-3-[3-fluoro-4-[3-hydroxy-4-[(E)-morpholin-4-yliminomethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[3-hydroxy-4-[(E)-morpholin-4-yliminomethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[3-hydroxy-4-[(E)-morpholin-4-yliminomethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(/C=N/N4CCOCC4)c(O)c3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[3-hydroxy-4-[(E)-morpholin-4-yliminomethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is SETDQIPVJSZJSM-XDWZDTHNSA-N. The full InChI is InChI=1S/C23H25FN4O5/c1-15(29)25-13-19-14-28(23(31)33-19)18-4-5-20(21(24)11-18)16-2-3-17(22(30)10-16)12-26-27-6-8-32-9-7-27/h2-5,10-12,19,30H,6-9,13-14H2,1H3,(H,25,29)/b26-12+/t19-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[3-hydroxy-4-[(E)-morpholin-4-yliminomethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[3-hydroxy-4-[(E)-morpholin-4-yliminomethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 456.47 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[3-hydroxy-4-[(E)-morpholin-4-yliminomethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 155541515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).