N-[[(5S)-3-[3-fluoro-4-(8-formylimidazo[1,2-a]pyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methane

C21H21FN4O4 — CID 159839371

IUPACN-[[(5S)-3-[3-fluoro-4-(8-formylimidazo[1,2-a]pyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methane
SMILESC.CC(=O)NC[C@H]1CN(c2ccc(-c3cc(C=O)c4nccn4c3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H17FN4O4.CH4/c1-12(27)23-8-16-10-25(20(28)29-16)15-2-3-17(18(21)7-15)13-6-14(11-26)19-22-4-5-24(19)9-13;/h2-7,9,11,16H,8,10H2,1H3,(H,23,27);1H4/t16-;/m0./s1
InChIKeyNOMHEOIOQUVHGT-NTISSMGPSA-N
MW412.42 g/mol
LogP3.05
Rot. Bonds5

About N-[[(5S)-3-[3-fluoro-4-(8-formylimidazo[1,2-a]pyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methane

N-[[(5S)-3-[3-fluoro-4-(8-formylimidazo[1,2-a]pyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methane (PubChem CID 159839371) has the molecular formula C21H21FN4O4 and a molecular weight of 412.42 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-(8-formylimidazo[1,2-a]pyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methane.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-(8-formylimidazo[1,2-a]pyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methane
PubChem CID159839371
Molecular FormulaC21H21FN4O4
Molecular Weight412.42 g/mol
Exact Mass412.15
IUPAC NameN-[[(5S)-3-[3-fluoro-4-(8-formylimidazo[1,2-a]pyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methane
SMILESC.CC(=O)NC[C@H]1CN(c2ccc(-c3cc(C=O)c4nccn4c3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H17FN4O4.CH4/c1-12(27)23-8-16-10-25(20(28)29-16)15-2-3-17(18(21)7-15)13-6-14(11-26)19-22-4-5-24(19)9-13;/h2-7,9,11,16H,8,10H2,1H3,(H,23,27);1H4/t16-;/m0./s1
InChIKeyNOMHEOIOQUVHGT-NTISSMGPSA-N
XLogP3.05
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[(5S)-3-[3-fluoro-4-(8-formylimidazo[1,2-a]pyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methane with MolForge

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Related Compounds

N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
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-[3-fluoro-4-[4-[[(1-methylimidazol-2-yl)methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23404201
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
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-[[3-[3-fluoro-4-[4-(hydroxyiminomethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 173196227
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-[6-(pyrazol-1-ylmethyl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22274076
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-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11756137

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-(8-formylimidazo[1,2-a]pyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methane?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-(8-formylimidazo[1,2-a]pyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methane (CID 159839371) is N-[[(5S)-3-[3-fluoro-4-(8-formylimidazo[1,2-a]pyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methane.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-(8-formylimidazo[1,2-a]pyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methane?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-(8-formylimidazo[1,2-a]pyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methane is C.CC(=O)NC[C@H]1CN(c2ccc(-c3cc(C=O)c4nccn4c3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-(8-formylimidazo[1,2-a]pyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methane?
The InChIKey is NOMHEOIOQUVHGT-NTISSMGPSA-N. The full InChI is InChI=1S/C20H17FN4O4.CH4/c1-12(27)23-8-16-10-25(20(28)29-16)15-2-3-17(18(21)7-15)13-6-14(11-26)19-22-4-5-24(19)9-13;/h2-7,9,11,16H,8,10H2,1H3,(H,23,27);1H4/t16-;/m0./s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-(8-formylimidazo[1,2-a]pyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methane?
N-[[(5S)-3-[3-fluoro-4-(8-formylimidazo[1,2-a]pyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methane has a molecular weight of 412.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-(8-formylimidazo[1,2-a]pyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methane is sourced from PubChem (CID 159839371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).