N-[[(5S)-3-[4-[4-(1H-benzimidazol-2-yl)-3-fluorophenyl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C25H19F3N4O3 — CID 11627117

IUPACN-[[(5S)-3-[4-[4-(1H-benzimidazol-2-yl)-3-fluorophenyl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2cc(F)c(-c3ccc(-c4nc5ccccc5[nH]4)c(F)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C25H19F3N4O3/c1-13(33)29-11-16-12-32(25(34)35-16)15-9-19(27)23(20(28)10-15)14-6-7-17(18(26)8-14)24-30-21-4-2-3-5-22(21)31-24/h2-10,16H,11-12H2,1H3,(H,29,33)(H,30,31)/t16-/m0/s1
InChIKeyYWNYEVPZQXVMFG-INIZCTEOSA-N
MW480.45 g/mol
LogP4.78
Rot. Bonds5

About N-[[(5S)-3-[4-[4-(1H-benzimidazol-2-yl)-3-fluorophenyl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[4-(1H-benzimidazol-2-yl)-3-fluorophenyl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11627117) has the molecular formula C25H19F3N4O3 and a molecular weight of 480.45 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[4-(1H-benzimidazol-2-yl)-3-fluorophenyl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[4-(1H-benzimidazol-2-yl)-3-fluorophenyl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11627117
Molecular FormulaC25H19F3N4O3
Molecular Weight480.45 g/mol
Exact Mass480.14
IUPAC NameN-[[(5S)-3-[4-[4-(1H-benzimidazol-2-yl)-3-fluorophenyl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2cc(F)c(-c3ccc(-c4nc5ccccc5[nH]4)c(F)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C25H19F3N4O3/c1-13(33)29-11-16-12-32(25(34)35-16)15-9-19(27)23(20(28)10-15)14-6-7-17(18(26)8-14)24-30-21-4-2-3-5-22(21)31-24/h2-10,16H,11-12H2,1H3,(H,29,33)(H,30,31)/t16-/m0/s1
InChIKeyYWNYEVPZQXVMFG-INIZCTEOSA-N
XLogP4.78
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.45
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-(1-methylbenzimidazol-2-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11526100
N-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11712324
N-[[(5S)-3-[4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54112761
N-[[3-[3,5-difluoro-4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86297896
N-[[(5R)-3-[4-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10348392
N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
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-(hydroxyiminomethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 173196227
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CID 23404082
N-[[3-[4-[4-(benzotriazol-2-yl)piperidin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68939949
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-[[3-[3-fluoro-4-(4-isocyanophenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[4-(1H-benzimidazol-2-yl)-3-fluorophenyl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[4-(1H-benzimidazol-2-yl)-3-fluorophenyl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11627117) is N-[[(5S)-3-[4-[4-(1H-benzimidazol-2-yl)-3-fluorophenyl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-[4-(1H-benzimidazol-2-yl)-3-fluorophenyl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[4-(1H-benzimidazol-2-yl)-3-fluorophenyl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2cc(F)c(-c3ccc(-c4nc5ccccc5[nH]4)c(F)c3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-[4-(1H-benzimidazol-2-yl)-3-fluorophenyl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is YWNYEVPZQXVMFG-INIZCTEOSA-N. The full InChI is InChI=1S/C25H19F3N4O3/c1-13(33)29-11-16-12-32(25(34)35-16)15-9-19(27)23(20(28)10-15)14-6-7-17(18(26)8-14)24-30-21-4-2-3-5-22(21)31-24/h2-10,16H,11-12H2,1H3,(H,29,33)(H,30,31)/t16-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[4-(1H-benzimidazol-2-yl)-3-fluorophenyl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[4-(1H-benzimidazol-2-yl)-3-fluorophenyl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 480.45 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-[4-(1H-benzimidazol-2-yl)-3-fluorophenyl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11627117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).