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

C24H27FN4O4 — CID 23403892

IUPACN-[[(5S)-3-[3-fluoro-4-[4-[[[(3S)-2-oxopiperidin-3-yl]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CN[C@H]4CCCNC4=O)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C24H27FN4O4/c1-15(30)27-13-19-14-29(24(32)33-19)18-8-9-20(21(25)11-18)17-6-4-16(5-7-17)12-28-22-3-2-10-26-23(22)31/h4-9,11,19,22,28H,2-3,10,12-14H2,1H3,(H,26,31)(H,27,30)/t19-,22-/m0/s1
InChIKeyBHZLBDSSZCWJLG-UGKGYDQZSA-N
MW454.50 g/mol
LogP2.32
Rot. Bonds7

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

N-[[(5S)-3-[3-fluoro-4-[4-[[[(3S)-2-oxopiperidin-3-yl]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 23403892) has the molecular formula C24H27FN4O4 and a molecular weight of 454.50 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-[[[(3S)-2-oxopiperidin-3-yl]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[4-[[[(3S)-2-oxopiperidin-3-yl]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID23403892
Molecular FormulaC24H27FN4O4
Molecular Weight454.50 g/mol
Exact Mass454.20
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[4-[[[(3S)-2-oxopiperidin-3-yl]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CN[C@H]4CCCNC4=O)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C24H27FN4O4/c1-15(30)27-13-19-14-29(24(32)33-19)18-8-9-20(21(25)11-18)17-6-4-16(5-7-17)12-28-22-3-2-10-26-23(22)31/h4-9,11,19,22,28H,2-3,10,12-14H2,1H3,(H,26,31)(H,27,30)/t19-,22-/m0/s1
InChIKeyBHZLBDSSZCWJLG-UGKGYDQZSA-N
XLogP2.32
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[[(5S)-3-[3-fluoro-4-[4-[[(2-oxopiperidin-3-yl)amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 121339782
N-[[3-[3-fluoro-4-[4-(methanesulfonamidomethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 71294897
N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl]-3-aminopropanamide
CID 11247379
N-[[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 23404322
N-[[3-[3-fluoro-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22274293
N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
N-[[(5S)-3-[4-[4-[(2-carbamothioylhydrazinyl)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11212602
(2R)-N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl]-2-aminobutanamide
CID 11189943
N-[[(5S)-3-[3-fluoro-4-[4-[[(4-methylpiperazin-1-yl)amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23403926
N-[[(5S)-3-[4-[4-[(chloromethylsulfonylamino)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11691301
N-[[3-[4-(4-cyanophenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 69098886
strontium;N-[[(5S)-3-[3-fluoro-4-(4-methanidylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;hydride
CID 173478166

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-[[[(3S)-2-oxopiperidin-3-yl]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-[[[(3S)-2-oxopiperidin-3-yl]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 23403892) is N-[[(5S)-3-[3-fluoro-4-[4-[[[(3S)-2-oxopiperidin-3-yl]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[4-[[[(3S)-2-oxopiperidin-3-yl]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[4-[[[(3S)-2-oxopiperidin-3-yl]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CN[C@H]4CCCNC4=O)cc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[4-[[[(3S)-2-oxopiperidin-3-yl]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is BHZLBDSSZCWJLG-UGKGYDQZSA-N. The full InChI is InChI=1S/C24H27FN4O4/c1-15(30)27-13-19-14-29(24(32)33-19)18-8-9-20(21(25)11-18)17-6-4-16(5-7-17)12-28-22-3-2-10-26-23(22)31/h4-9,11,19,22,28H,2-3,10,12-14H2,1H3,(H,26,31)(H,27,30)/t19-,22-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[4-[[[(3S)-2-oxopiperidin-3-yl]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[4-[[[(3S)-2-oxopiperidin-3-yl]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 454.50 g/mol, XLogP of 2.32, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[4-[[[(3S)-2-oxopiperidin-3-yl]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 23403892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).