N-[[(5S)-3-[4-[4-(4,5-dihydroimidazol-1-ylmethyl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C22H23FN4O3 — CID 70653707

IUPACN-[[(5S)-3-[4-[4-(4,5-dihydroimidazol-1-ylmethyl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CN4C=NCC4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H23FN4O3/c1-15(28)25-11-19-13-27(22(29)30-19)18-6-7-20(21(23)10-18)17-4-2-16(3-5-17)12-26-9-8-24-14-26/h2-7,10,14,19H,8-9,11-13H2,1H3,(H,25,28)/t19-/m0/s1
InChIKeyCGZIKEDJESRCNQ-IBGZPJMESA-N
MW410.45 g/mol
LogP2.80
Rot. Bonds6

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

N-[[(5S)-3-[4-[4-(4,5-dihydroimidazol-1-ylmethyl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 70653707) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[4-(4,5-dihydroimidazol-1-ylmethyl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[4-(4,5-dihydroimidazol-1-ylmethyl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID70653707
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC NameN-[[(5S)-3-[4-[4-(4,5-dihydroimidazol-1-ylmethyl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CN4C=NCC4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H23FN4O3/c1-15(28)25-11-19-13-27(22(29)30-19)18-6-7-20(21(23)10-18)17-4-2-16(3-5-17)12-26-9-8-24-14-26/h2-7,10,14,19H,8-9,11-13H2,1H3,(H,25,28)/t19-/m0/s1
InChIKeyCGZIKEDJESRCNQ-IBGZPJMESA-N
XLogP2.80
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(5S)-3-[4-[4-(4,5-dihydroimidazol-1-ylmethyl)phenyl]-3-fluorophenyl]-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-[[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
N-[[3-[3-fluoro-4-[4-[(5-methyltetrazol-2-yl)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22274143
N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
N-[[3-[3-fluoro-4-[4-[(5-methylimidazol-1-yl)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22274175
N-[[(5S)-3-[4-[4-[(3-cyanoazetidin-1-yl)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11647486
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]phenyl]methanesulfinyl iodide
CID 143007056
N-[[(5S)-3-[3-fluoro-4-[4-[(5-methylsulfanyltetrazol-1-yl)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11655445
N-[[3-[3-fluoro-4-[4-(methanesulfonamidomethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 71294897
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

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[4-(4,5-dihydroimidazol-1-ylmethyl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[4-(4,5-dihydroimidazol-1-ylmethyl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 70653707) is N-[[(5S)-3-[4-[4-(4,5-dihydroimidazol-1-ylmethyl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-[4-(4,5-dihydroimidazol-1-ylmethyl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[4-(4,5-dihydroimidazol-1-ylmethyl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CN4C=NCC4)cc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-[4-(4,5-dihydroimidazol-1-ylmethyl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is CGZIKEDJESRCNQ-IBGZPJMESA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-15(28)25-11-19-13-27(22(29)30-19)18-6-7-20(21(23)10-18)17-4-2-16(3-5-17)12-26-9-8-24-14-26/h2-7,10,14,19H,8-9,11-13H2,1H3,(H,25,28)/t19-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[4-(4,5-dihydroimidazol-1-ylmethyl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[4-(4,5-dihydroimidazol-1-ylmethyl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 410.45 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-[4-(4,5-dihydroimidazol-1-ylmethyl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 70653707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).