N-[[(5S)-3-[3-fluoro-4-[2-(nitrosomethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C20H18FN5O4 — CID 123537741

IUPACN-[[(5S)-3-[3-fluoro-4-[2-(nitrosomethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc4nc(CN=O)cn4c3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H18FN5O4/c1-12(27)22-8-16-11-26(20(28)30-16)15-3-4-17(18(21)6-15)13-2-5-19-24-14(7-23-29)10-25(19)9-13/h2-6,9-10,16H,7-8,11H2,1H3,(H,22,27)/t16-/m0/s1
InChIKeyZHQWHPPXQCAXKW-INIZCTEOSA-N
MW411.39 g/mol
LogP2.87
Rot. Bonds6

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

N-[[(5S)-3-[3-fluoro-4-[2-(nitrosomethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 123537741) has the molecular formula C20H18FN5O4 and a molecular weight of 411.39 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[2-(nitrosomethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[2-(nitrosomethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID123537741
Molecular FormulaC20H18FN5O4
Molecular Weight411.39 g/mol
Exact Mass411.13
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[2-(nitrosomethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc4nc(CN=O)cn4c3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H18FN5O4/c1-12(27)22-8-16-11-26(20(28)30-16)15-3-4-17(18(21)6-15)13-2-5-19-24-14(7-23-29)10-25(19)9-13/h2-6,9-10,16H,7-8,11H2,1H3,(H,22,27)/t16-/m0/s1
InChIKeyZHQWHPPXQCAXKW-INIZCTEOSA-N
XLogP2.87
TPSA105.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
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-(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-fluorophenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142987396
N-[[3-[3-fluoro-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22274293
[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methanesulfinyl iodide
CID 143007056
N-[[(5S)-3-[3-fluoro-4-[6-(1,2,4-triazol-1-ylmethyl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11304419
N-[[(5S)-3-[4-[4-[(2-carbamothioylhydrazinyl)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11212602
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

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[2-(nitrosomethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[2-(nitrosomethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 123537741) is N-[[(5S)-3-[3-fluoro-4-[2-(nitrosomethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[2-(nitrosomethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[2-(nitrosomethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc4nc(CN=O)cn4c3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[2-(nitrosomethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is ZHQWHPPXQCAXKW-INIZCTEOSA-N. The full InChI is InChI=1S/C20H18FN5O4/c1-12(27)22-8-16-11-26(20(28)30-16)15-3-4-17(18(21)6-15)13-2-5-19-24-14(7-23-29)10-25(19)9-13/h2-6,9-10,16H,7-8,11H2,1H3,(H,22,27)/t16-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[2-(nitrosomethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[2-(nitrosomethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 411.39 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[2-(nitrosomethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 123537741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).