N-[[(5S)-3-[4-(6-methylsulfanylimidazo[1,2-a]pyridine-3-carbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C21H20N4O4S — CID 57194150

IUPACN-[[(5S)-3-[4-(6-methylsulfanylimidazo[1,2-a]pyridine-3-carbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCSc1ccc2ncc(C(=O)c3ccc(N4C[C@H](CNC(C)=O)OC4=O)cc3)n2c1
InChIInChI=1S/C21H20N4O4S/c1-13(26)22-9-16-11-24(21(28)29-16)15-5-3-14(4-6-15)20(27)18-10-23-19-8-7-17(30-2)12-25(18)19/h3-8,10,12,16H,9,11H2,1-2H3,(H,22,26)/t16-/m0/s1
InChIKeyCQAYTYNNUFEMMG-INIZCTEOSA-N
MW424.48 g/mol
LogP2.75
Rot. Bonds6

About N-[[(5S)-3-[4-(6-methylsulfanylimidazo[1,2-a]pyridine-3-carbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-(6-methylsulfanylimidazo[1,2-a]pyridine-3-carbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 57194150) has the molecular formula C21H20N4O4S and a molecular weight of 424.48 g/mol. Its IUPAC name is N-[[(5S)-3-[4-(6-methylsulfanylimidazo[1,2-a]pyridine-3-carbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-(6-methylsulfanylimidazo[1,2-a]pyridine-3-carbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID57194150
Molecular FormulaC21H20N4O4S
Molecular Weight424.48 g/mol
Exact Mass424.12
IUPAC NameN-[[(5S)-3-[4-(6-methylsulfanylimidazo[1,2-a]pyridine-3-carbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCSc1ccc2ncc(C(=O)c3ccc(N4C[C@H](CNC(C)=O)OC4=O)cc3)n2c1
InChIInChI=1S/C21H20N4O4S/c1-13(26)22-9-16-11-24(21(28)29-16)15-5-3-14(4-6-15)20(27)18-10-23-19-8-7-17(30-2)12-25(18)19/h3-8,10,12,16H,9,11H2,1-2H3,(H,22,26)/t16-/m0/s1
InChIKeyCQAYTYNNUFEMMG-INIZCTEOSA-N
XLogP2.75
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[(5S)-3-[4-[6-(methylsulfamoyl)imidazo[1,2-a]pyridine-3-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70288852
N-[[(5S)-2-oxo-3-[4-(8-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57040200
N-[[3-[4-(2-hydroxyethylsulfanyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14011393
N-[[(5S)-2-oxo-3-[4-(1H-pyrrole-2-carbonyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57081651
ethyl 4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoate
CID 14809103
N-[[(5R)-3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54472628
N-[[3-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68698825
N-[[(5R)-3-[4-(1-hydroxyethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 151762391
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20666078
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-[[(5S)-2-oxo-3-(4-pyridin-3-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14987829
N-[[2-oxo-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21462605

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-(6-methylsulfanylimidazo[1,2-a]pyridine-3-carbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-(6-methylsulfanylimidazo[1,2-a]pyridine-3-carbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 57194150) is N-[[(5S)-3-[4-(6-methylsulfanylimidazo[1,2-a]pyridine-3-carbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-(6-methylsulfanylimidazo[1,2-a]pyridine-3-carbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-(6-methylsulfanylimidazo[1,2-a]pyridine-3-carbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CSc1ccc2ncc(C(=O)c3ccc(N4C[C@H](CNC(C)=O)OC4=O)cc3)n2c1.
What is the InChIKey of N-[[(5S)-3-[4-(6-methylsulfanylimidazo[1,2-a]pyridine-3-carbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is CQAYTYNNUFEMMG-INIZCTEOSA-N. The full InChI is InChI=1S/C21H20N4O4S/c1-13(26)22-9-16-11-24(21(28)29-16)15-5-3-14(4-6-15)20(27)18-10-23-19-8-7-17(30-2)12-25(18)19/h3-8,10,12,16H,9,11H2,1-2H3,(H,22,26)/t16-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-(6-methylsulfanylimidazo[1,2-a]pyridine-3-carbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-(6-methylsulfanylimidazo[1,2-a]pyridine-3-carbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 424.48 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-(6-methylsulfanylimidazo[1,2-a]pyridine-3-carbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 57194150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).