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

C26H25FN4O3 — CID 58045641

IUPACN-[[(5S)-3-[3-fluoro-4-[4-(3-pyridin-4-ylpropanimidoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILES[H]/N=C(\CCc1ccncc1)c1ccc(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)cc1
InChIInChI=1S/C26H25FN4O3/c1-17(32)30-15-22-16-31(26(33)34-22)21-7-8-23(24(27)14-21)19-3-5-20(6-4-19)25(28)9-2-18-10-12-29-13-11-18/h3-8,10-14,22,28H,2,9,15-16H2,1H3,(H,30,32)/b28-25+/t22-/m0/s1
InChIKeyGIZXQGWKIVZYLV-FPCFPJRVSA-N
MW460.51 g/mol
LogP4.35
Rot. Bonds8

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

N-[[(5S)-3-[3-fluoro-4-[4-(3-pyridin-4-ylpropanimidoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 58045641) has the molecular formula C26H25FN4O3 and a molecular weight of 460.51 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-(3-pyridin-4-ylpropanimidoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[4-(3-pyridin-4-ylpropanimidoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID58045641
Molecular FormulaC26H25FN4O3
Molecular Weight460.51 g/mol
Exact Mass460.19
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[4-(3-pyridin-4-ylpropanimidoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILES[H]/N=C(\CCc1ccncc1)c1ccc(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)cc1
InChIInChI=1S/C26H25FN4O3/c1-17(32)30-15-22-16-31(26(33)34-22)21-7-8-23(24(27)14-21)19-3-5-20(6-4-19)25(28)9-2-18-10-12-29-13-11-18/h3-8,10-14,22,28H,2,9,15-16H2,1H3,(H,30,32)/b28-25+/t22-/m0/s1
InChIKeyGIZXQGWKIVZYLV-FPCFPJRVSA-N
XLogP4.35
TPSA95.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[[(5S)-3-[3-fluoro-4-[4-(3-pyridin-4-ylpropanimidoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[[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-(2-pyridin-4-ylethylsulfonyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58045555
N-[[3-[4-(4-carbamimidoylphenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 69098860
N-[[3-[3-fluoro-4-[4-(pyridin-4-ylmethylsulfamoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23404236
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
N-[[(5S)-3-[3-fluoro-4-[5-(3-pyridin-4-ylpropyl)-2-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58045433
N-[[(5S)-3-[3-fluoro-4-[4-[2-(3-fluoropropylamino)ethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 143068609
N-[[(5S)-3-[4-[4-[3-(3-bromo-1,2-oxazol-5-yl)propyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58045619
strontium;N-[[(5S)-3-[3-fluoro-4-(4-methanidylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;hydride
CID 173478166
[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzoyl]amino] 4-aminobutanoate
CID 24993368
N-[[3-[3-fluoro-4-[4-[2-(triazol-1-yl)ethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22274316

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-(3-pyridin-4-ylpropanimidoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-(3-pyridin-4-ylpropanimidoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 58045641) is N-[[(5S)-3-[3-fluoro-4-[4-(3-pyridin-4-ylpropanimidoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[4-(3-pyridin-4-ylpropanimidoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[4-(3-pyridin-4-ylpropanimidoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is [H]/N=C(\CCc1ccncc1)c1ccc(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)cc1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[4-(3-pyridin-4-ylpropanimidoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is GIZXQGWKIVZYLV-FPCFPJRVSA-N. The full InChI is InChI=1S/C26H25FN4O3/c1-17(32)30-15-22-16-31(26(33)34-22)21-7-8-23(24(27)14-21)19-3-5-20(6-4-19)25(28)9-2-18-10-12-29-13-11-18/h3-8,10-14,22,28H,2,9,15-16H2,1H3,(H,30,32)/b28-25+/t22-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[4-(3-pyridin-4-ylpropanimidoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[4-(3-pyridin-4-ylpropanimidoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 460.51 g/mol, XLogP of 4.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[4-(3-pyridin-4-ylpropanimidoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 58045641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).