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

C20H18FN5O4 — CID 58239179

IUPACN-[[(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
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccn4c(/C=N/O)cnc4c3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H18FN5O4/c1-12(27)22-10-16-11-26(20(28)30-16)14-2-3-17(18(21)7-14)13-4-5-25-15(9-24-29)8-23-19(25)6-13/h2-9,16,29H,10-11H2,1H3,(H,22,27)/b24-9+/t16-/m0/s1
InChIKeyDBMNHFCBECYDTQ-MLSHRIESSA-N
MW411.39 g/mol
LogP2.41
Rot. Bonds5

About 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

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 (PubChem CID 58239179) has the molecular formula C20H18FN5O4 and a molecular weight of 411.39 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[(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
PubChem CID58239179
Molecular FormulaC20H18FN5O4
Molecular Weight411.39 g/mol
Exact Mass411.13
IUPAC NameN-[[(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
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccn4c(/C=N/O)cnc4c3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H18FN5O4/c1-12(27)22-10-16-11-26(20(28)30-16)14-2-3-17(18(21)7-14)13-4-5-25-15(9-24-29)8-23-19(25)6-13/h2-9,16,29H,10-11H2,1H3,(H,22,27)/b24-9+/t16-/m0/s1
InChIKeyDBMNHFCBECYDTQ-MLSHRIESSA-N
XLogP2.41
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.39
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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
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
N-[[3-[4-[2-(1-aminocyclopropyl)pyrimidin-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 72957971
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
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-(2-formyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58239209
N-[[3-[4-[5-[(diaminomethylidenehydrazinylidene)methyl]-2-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 175394522
N-[[(5S)-3-[4-[5-[(carbamoylhydrazinylidene)methyl]-2-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 167435308
N-[[(5S)-3-[4-[6-(4-acetamidopiperidin-1-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67551168

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)NC[C@H]1CN(c2ccc(-c3ccn4c(/C=N/O)cnc4c3)c(F)c2)C(=O)O1.
What is the InChIKey of 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?
The InChIKey is DBMNHFCBECYDTQ-MLSHRIESSA-N. The full InChI is InChI=1S/C20H18FN5O4/c1-12(27)22-10-16-11-26(20(28)30-16)14-2-3-17(18(21)7-14)13-4-5-25-15(9-24-29)8-23-19(25)6-13/h2-9,16,29H,10-11H2,1H3,(H,22,27)/b24-9+/t16-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 411.39 g/mol, XLogP of 2.41, 5 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-[(E)-hydroxyiminomethyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 58239179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).