N-[[3-[3-fluoro-4-[4-[[[(hydroxyamino)-pyridin-4-ylmethylidene]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C25H24FN5O4 — CID 135721059

IUPACN-[[3-[3-fluoro-4-[4-[[[(hydroxyamino)-pyridin-4-ylmethylidene]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-c3ccc(C/N=C(\NO)c4ccncc4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C25H24FN5O4/c1-16(32)28-14-21-15-31(25(33)35-21)20-6-7-22(23(26)12-20)18-4-2-17(3-5-18)13-29-24(30-34)19-8-10-27-11-9-19/h2-12,21,34H,13-15H2,1H3,(H,28,32)(H,29,30)
InChIKeyBLPLQPVRQORRSQ-UHFFFAOYSA-N
MW477.50 g/mol
LogP3.27
Rot. Bonds7

About N-[[3-[3-fluoro-4-[4-[[[(hydroxyamino)-pyridin-4-ylmethylidene]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[3-fluoro-4-[4-[[[(hydroxyamino)-pyridin-4-ylmethylidene]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 135721059) has the molecular formula C25H24FN5O4 and a molecular weight of 477.50 g/mol. Its IUPAC name is N-[[3-[3-fluoro-4-[4-[[[(hydroxyamino)-pyridin-4-ylmethylidene]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[3-fluoro-4-[4-[[[(hydroxyamino)-pyridin-4-ylmethylidene]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID135721059
Molecular FormulaC25H24FN5O4
Molecular Weight477.50 g/mol
Exact Mass477.18
IUPAC NameN-[[3-[3-fluoro-4-[4-[[[(hydroxyamino)-pyridin-4-ylmethylidene]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-c3ccc(C/N=C(\NO)c4ccncc4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C25H24FN5O4/c1-16(32)28-14-21-15-31(25(33)35-21)20-6-7-22(23(26)12-20)18-4-2-17(3-5-18)13-29-24(30-34)19-8-10-27-11-9-19/h2-12,21,34H,13-15H2,1H3,(H,28,32)(H,29,30)
InChIKeyBLPLQPVRQORRSQ-UHFFFAOYSA-N
XLogP3.27
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.50
LogP ≤ 53.27
H-Bond Donors ≤ 53
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-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
N-[[(5S)-3-[3-fluoro-4-[4-(3-pyridin-4-ylpropanoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58045463
N-[[(5S)-3-[3-fluoro-4-[4-(2-pyridin-4-ylethylsulfonyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58045555
N-[[3-[3-fluoro-4-[4-(pyridin-4-ylmethylsulfamoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23404236
N-[[(5S)-3-[3-fluoro-4-[4-[[(3-fluoro-4-pyridinyl)methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23403908
N-[[(5S)-3-[3-fluoro-4-[4-(3-pyridin-4-ylpropanimidoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58045641
N-[[3-[3-fluoro-4-(4-isocyanophenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23404253
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-(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-[[3-[3-fluoro-4-[4-(hydroxyiminomethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 173196227
N-[[(5S)-3-[3-fluoro-4-[4-[3-[5-(hydroxymethyl)furan-2-yl]propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58045621

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-fluoro-4-[4-[[[(hydroxyamino)-pyridin-4-ylmethylidene]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[3-fluoro-4-[4-[[[(hydroxyamino)-pyridin-4-ylmethylidene]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 135721059) is N-[[3-[3-fluoro-4-[4-[[[(hydroxyamino)-pyridin-4-ylmethylidene]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[3-fluoro-4-[4-[[[(hydroxyamino)-pyridin-4-ylmethylidene]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[3-fluoro-4-[4-[[[(hydroxyamino)-pyridin-4-ylmethylidene]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(-c3ccc(C/N=C(\NO)c4ccncc4)cc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[3-[3-fluoro-4-[4-[[[(hydroxyamino)-pyridin-4-ylmethylidene]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is BLPLQPVRQORRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O4/c1-16(32)28-14-21-15-31(25(33)35-21)20-6-7-22(23(26)12-20)18-4-2-17(3-5-18)13-29-24(30-34)19-8-10-27-11-9-19/h2-12,21,34H,13-15H2,1H3,(H,28,32)(H,29,30).
What are the key properties of N-[[3-[3-fluoro-4-[4-[[[(hydroxyamino)-pyridin-4-ylmethylidene]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[3-fluoro-4-[4-[[[(hydroxyamino)-pyridin-4-ylmethylidene]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 477.50 g/mol, XLogP of 3.27, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-fluoro-4-[4-[[[(hydroxyamino)-pyridin-4-ylmethylidene]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 135721059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).