N-[[(5S)-3-(6-fluoro-1-methanimidoyl-2H-pyridin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C12H15FN4O3 — CID 149173311

IUPACN-[[(5S)-3-(6-fluoro-1-methanimidoyl-2H-pyridin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILES[H]/N=C/N1CC=C(N2C[C@H](CNC(C)=O)OC2=O)C=C1F
InChIInChI=1S/C12H15FN4O3/c1-8(18)15-5-10-6-17(12(19)20-10)9-2-3-16(7-14)11(13)4-9/h2,4,7,10,14H,3,5-6H2,1H3,(H,15,18)/b14-7+/t10-/m0/s1
InChIKeyWZMHJXOGJIRJJN-UQDQQJHMSA-N
MW282.27 g/mol
LogP0.56
Rot. Bonds4

About N-[[(5S)-3-(6-fluoro-1-methanimidoyl-2H-pyridin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-(6-fluoro-1-methanimidoyl-2H-pyridin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 149173311) has the molecular formula C12H15FN4O3 and a molecular weight of 282.27 g/mol. Its IUPAC name is N-[[(5S)-3-(6-fluoro-1-methanimidoyl-2H-pyridin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-(6-fluoro-1-methanimidoyl-2H-pyridin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID149173311
Molecular FormulaC12H15FN4O3
Molecular Weight282.27 g/mol
Exact Mass282.11
IUPAC NameN-[[(5S)-3-(6-fluoro-1-methanimidoyl-2H-pyridin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILES[H]/N=C/N1CC=C(N2C[C@H](CNC(C)=O)OC2=O)C=C1F
InChIInChI=1S/C12H15FN4O3/c1-8(18)15-5-10-6-17(12(19)20-10)9-2-3-16(7-14)11(13)4-9/h2,4,7,10,14H,3,5-6H2,1H3,(H,15,18)/b14-7+/t10-/m0/s1
InChIKeyWZMHJXOGJIRJJN-UQDQQJHMSA-N
XLogP0.56
TPSA85.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-[[3-[4-[2-aminoethyl(methanimidoyl)amino]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 89083126
N-[[(5S)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522
1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carboxylic acid
CID 10286662
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20666078
N-[[(5R)-3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54472628
N-[[(5S)-3-[3-fluoro-4-[2-formamidoethyl(methanimidoyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 88931232
N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoic acid
CID 129386385
N-[[3-[1-(4-fluorophenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21158002
[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl] trifluoromethanesulfonate
CID 22479574
N-[[(5S)-3-[3-fluoro-4-(3-methoxyazetidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15381194
N-[[(5S)-3-[4-[3-(difluoromethylidene)azetidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70196493

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-(6-fluoro-1-methanimidoyl-2H-pyridin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-(6-fluoro-1-methanimidoyl-2H-pyridin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 149173311) is N-[[(5S)-3-(6-fluoro-1-methanimidoyl-2H-pyridin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-(6-fluoro-1-methanimidoyl-2H-pyridin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-(6-fluoro-1-methanimidoyl-2H-pyridin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is [H]/N=C/N1CC=C(N2C[C@H](CNC(C)=O)OC2=O)C=C1F.
What is the InChIKey of N-[[(5S)-3-(6-fluoro-1-methanimidoyl-2H-pyridin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is WZMHJXOGJIRJJN-UQDQQJHMSA-N. The full InChI is InChI=1S/C12H15FN4O3/c1-8(18)15-5-10-6-17(12(19)20-10)9-2-3-16(7-14)11(13)4-9/h2,4,7,10,14H,3,5-6H2,1H3,(H,15,18)/b14-7+/t10-/m0/s1.
What are the key properties of N-[[(5S)-3-(6-fluoro-1-methanimidoyl-2H-pyridin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-(6-fluoro-1-methanimidoyl-2H-pyridin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 282.27 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-(6-fluoro-1-methanimidoyl-2H-pyridin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 149173311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).