2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl-methylamino]acetamide

C22H25FN4O4 — CID 11407714

IUPAC2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl-methylamino]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CN(C)CC(N)=O)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H25FN4O4/c1-14(28)25-10-18-12-27(22(30)31-18)17-7-8-19(20(23)9-17)16-5-3-15(4-6-16)11-26(2)13-21(24)29/h3-9,18H,10-13H2,1-2H3,(H2,24,29)(H,25,28)/t18-/m0/s1
InChIKeyIHMGHUCXOGYZSG-SFHVURJKSA-N
MW428.46 g/mol
LogP1.87
Rot. Bonds8

About 2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl-methylamino]acetamide

2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl-methylamino]acetamide (PubChem CID 11407714) has the molecular formula C22H25FN4O4 and a molecular weight of 428.46 g/mol. Its IUPAC name is 2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl-methylamino]acetamide
PubChem CID11407714
Molecular FormulaC22H25FN4O4
Molecular Weight428.46 g/mol
Exact Mass428.19
IUPAC Name2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl-methylamino]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CN(C)CC(N)=O)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H25FN4O4/c1-14(28)25-10-18-12-27(22(30)31-18)17-7-8-19(20(23)9-17)16-5-3-15(4-6-16)11-26(2)13-21(24)29/h3-9,18H,10-13H2,1-2H3,(H2,24,29)(H,25,28)/t18-/m0/s1
InChIKeyIHMGHUCXOGYZSG-SFHVURJKSA-N
XLogP1.87
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl-methylamino]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-[[3-[4-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 145082341
N-[[(5S)-3-[3-fluoro-4-[4-[[2-fluoroethyl(hydroxy)amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11704439
N-[[(5S)-3-[4-[4-[[bis[(E)-3-bromoprop-2-enyl]amino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11606808
N-[[(5S)-3-[4-[4-[[1,2-dihydropyridin-4-ylmethyl(methyl)amino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 143006844
[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-[[methyl(quinolin-3-ylmethyl)amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22274191
N-[[(5S)-3-[4-[4-[(2-carbamothioylhydrazinyl)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11212602
N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl]-N-(3-fluoro-2-oxopropyl)-methylboronamidic acid
CID 58721922
N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl]-3-aminopropanamide
CID 11247379
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
N-[[(5S)-3-[4-[4-[(5-aminotetrazol-1-yl)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11604263

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl-methylamino]acetamide?
The IUPAC name of 2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl-methylamino]acetamide (CID 11407714) is 2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl-methylamino]acetamide.
What is the SMILES notation for 2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl-methylamino]acetamide?
The canonical SMILES for 2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl-methylamino]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CN(C)CC(N)=O)cc3)c(F)c2)C(=O)O1.
What is the InChIKey of 2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl-methylamino]acetamide?
The InChIKey is IHMGHUCXOGYZSG-SFHVURJKSA-N. The full InChI is InChI=1S/C22H25FN4O4/c1-14(28)25-10-18-12-27(22(30)31-18)17-7-8-19(20(23)9-17)16-5-3-15(4-6-16)11-26(2)13-21(24)29/h3-9,18H,10-13H2,1-2H3,(H2,24,29)(H,25,28)/t18-/m0/s1.
What are the key properties of 2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl-methylamino]acetamide?
2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl-methylamino]acetamide has a molecular weight of 428.46 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl-methylamino]acetamide is sourced from PubChem (CID 11407714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).