N-[[3-[3-fluoro-4-[3-(methoxyiminomethyl)-2H-imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C17H20FN5O4 — CID 57254284

IUPACN-[[3-[3-fluoro-4-[3-(methoxyiminomethyl)-2H-imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCON=CN1C=CN(c2ccc(N3CC(CNC(C)=O)OC3=O)cc2F)C1
InChIInChI=1S/C17H20FN5O4/c1-12(24)19-8-14-9-23(17(25)27-14)13-3-4-16(15(18)7-13)22-6-5-21(11-22)10-20-26-2/h3-7,10,14H,8-9,11H2,1-2H3,(H,19,24)
InChIKeySMIDXBUSIKQCGE-UHFFFAOYSA-N
MW377.38 g/mol
LogP1.43
Rot. Bonds6

About N-[[3-[3-fluoro-4-[3-(methoxyiminomethyl)-2H-imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[3-fluoro-4-[3-(methoxyiminomethyl)-2H-imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 57254284) has the molecular formula C17H20FN5O4 and a molecular weight of 377.38 g/mol. Its IUPAC name is N-[[3-[3-fluoro-4-[3-(methoxyiminomethyl)-2H-imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[3-fluoro-4-[3-(methoxyiminomethyl)-2H-imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID57254284
Molecular FormulaC17H20FN5O4
Molecular Weight377.38 g/mol
Exact Mass377.15
IUPAC NameN-[[3-[3-fluoro-4-[3-(methoxyiminomethyl)-2H-imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCON=CN1C=CN(c2ccc(N3CC(CNC(C)=O)OC3=O)cc2F)C1
InChIInChI=1S/C17H20FN5O4/c1-12(24)19-8-14-9-23(17(25)27-14)13-3-4-16(15(18)7-13)22-6-5-21(11-22)10-20-26-2/h3-7,10,14H,8-9,11H2,1-2H3,(H,19,24)
InChIKeySMIDXBUSIKQCGE-UHFFFAOYSA-N
XLogP1.43
TPSA86.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-[(E)-methoxyiminomethyl]pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10714429
N-[[(5S)-3-[3-fluoro-4-[3-(methoxyiminomethyl)pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54069801
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-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
N-[[3-[3-fluoro-4-[3-(methoxymethylidene)azetidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70197464
N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-6-[(E)-2-methoxyethoxyiminomethyl]-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10296600
N-[[3-[4-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142224217
N-[[(5S)-3-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11290525
N-[[3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 75096545
N-[[(5S)-3-[3-fluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58697749
N-[[(5S)-3-[3-fluoro-4-[(1R,5S)-6-methyl-7-oxo-3-azabicyclo[3.1.1]heptan-3-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10904865
N-[[(5S)-3-[3-fluoro-4-[(2S)-3-fluoro-2-methylazetidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70193904

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-fluoro-4-[3-(methoxyiminomethyl)-2H-imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[3-fluoro-4-[3-(methoxyiminomethyl)-2H-imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 57254284) is N-[[3-[3-fluoro-4-[3-(methoxyiminomethyl)-2H-imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[3-fluoro-4-[3-(methoxyiminomethyl)-2H-imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[3-fluoro-4-[3-(methoxyiminomethyl)-2H-imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CON=CN1C=CN(c2ccc(N3CC(CNC(C)=O)OC3=O)cc2F)C1.
What is the InChIKey of N-[[3-[3-fluoro-4-[3-(methoxyiminomethyl)-2H-imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is SMIDXBUSIKQCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O4/c1-12(24)19-8-14-9-23(17(25)27-14)13-3-4-16(15(18)7-13)22-6-5-21(11-22)10-20-26-2/h3-7,10,14H,8-9,11H2,1-2H3,(H,19,24).
What are the key properties of N-[[3-[3-fluoro-4-[3-(methoxyiminomethyl)-2H-imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[3-fluoro-4-[3-(methoxyiminomethyl)-2H-imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 377.38 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-fluoro-4-[3-(methoxyiminomethyl)-2H-imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 57254284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).