N-[[(5S)-3-[3-fluoro-4-[3-(2-hydroxyethoxyiminomethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C22H22FN5O5 — CID 123760435

IUPACN-[[(5S)-3-[3-fluoro-4-[3-(2-hydroxyethoxyiminomethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccn4c(C=NOCCO)cnc4c3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H22FN5O5/c1-14(30)24-12-18-13-28(22(31)33-18)16-2-3-19(20(23)9-16)15-4-5-27-17(10-25-21(27)8-15)11-26-32-7-6-29/h2-5,8-11,18,29H,6-7,12-13H2,1H3,(H,24,30)/t18-/m0/s1
InChIKeySKUCGJVPGAQLHY-SFHVURJKSA-N
MW455.45 g/mol
LogP1.94
Rot. Bonds8

About N-[[(5S)-3-[3-fluoro-4-[3-(2-hydroxyethoxyiminomethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-[3-(2-hydroxyethoxyiminomethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 123760435) has the molecular formula C22H22FN5O5 and a molecular weight of 455.45 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[3-(2-hydroxyethoxyiminomethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[3-(2-hydroxyethoxyiminomethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID123760435
Molecular FormulaC22H22FN5O5
Molecular Weight455.45 g/mol
Exact Mass455.16
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[3-(2-hydroxyethoxyiminomethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccn4c(C=NOCCO)cnc4c3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H22FN5O5/c1-14(30)24-12-18-13-28(22(31)33-18)16-2-3-19(20(23)9-16)15-4-5-27-17(10-25-21(27)8-15)11-26-32-7-6-29/h2-5,8-11,18,29H,6-7,12-13H2,1H3,(H,24,30)/t18-/m0/s1
InChIKeySKUCGJVPGAQLHY-SFHVURJKSA-N
XLogP1.94
TPSA117.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.45
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[[(5S)-3-[3-fluoro-4-[3-(2-hydroxyethoxyiminomethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide with MolForge

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Related Compounds

N-[[(5S)-3-[3-fluoro-4-[3-[(E)-hydroxyiminomethyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58239179
N-[[3-[3-fluoro-4-[4-(hydroxyiminomethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 173196227
N-[[(5S)-3-[3-fluoro-4-[3-[(1,2-oxazol-3-ylamino)methyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58239244
N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
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-[4-[4-[(carbamothioylhydrazinylidene)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 175394534
N-[[3-[4-[2-(1-aminocyclopropyl)pyrimidin-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 72957971
N-[[3-[3-fluoro-4-[3-fluoro-4-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11719247
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-[[(5S)-3-[3-fluoro-4-(5-methylimidazo[1,2-a]pyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58239262

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[3-(2-hydroxyethoxyiminomethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[3-(2-hydroxyethoxyiminomethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 123760435) is N-[[(5S)-3-[3-fluoro-4-[3-(2-hydroxyethoxyiminomethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[3-(2-hydroxyethoxyiminomethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[3-(2-hydroxyethoxyiminomethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccn4c(C=NOCCO)cnc4c3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[3-(2-hydroxyethoxyiminomethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is SKUCGJVPGAQLHY-SFHVURJKSA-N. The full InChI is InChI=1S/C22H22FN5O5/c1-14(30)24-12-18-13-28(22(31)33-18)16-2-3-19(20(23)9-16)15-4-5-27-17(10-25-21(27)8-15)11-26-32-7-6-29/h2-5,8-11,18,29H,6-7,12-13H2,1H3,(H,24,30)/t18-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[3-(2-hydroxyethoxyiminomethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[3-(2-hydroxyethoxyiminomethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 455.45 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[3-(2-hydroxyethoxyiminomethyl)imidazo[1,2-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 123760435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).