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

C26H21F3N4O3 — CID 11526100

IUPACN-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-(1-methylbenzimidazol-2-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2cc(F)c(-c3ccc(-c4nc5ccccc5n4C)c(F)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C26H21F3N4O3/c1-14(34)30-12-17-13-33(26(35)36-17)16-10-20(28)24(21(29)11-16)15-7-8-18(19(27)9-15)25-31-22-5-3-4-6-23(22)32(25)2/h3-11,17H,12-13H2,1-2H3,(H,30,34)/t17-/m0/s1
InChIKeyODRLONANXIUQDI-KRWDZBQOSA-N
MW494.47 g/mol
LogP4.79
Rot. Bonds5

About 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

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 (PubChem CID 11526100) has the molecular formula C26H21F3N4O3 and a molecular weight of 494.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-(1-methylbenzimidazol-2-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11526100
Molecular FormulaC26H21F3N4O3
Molecular Weight494.47 g/mol
Exact Mass494.16
IUPAC NameN-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-(1-methylbenzimidazol-2-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2cc(F)c(-c3ccc(-c4nc5ccccc5n4C)c(F)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C26H21F3N4O3/c1-14(34)30-12-17-13-33(26(35)36-17)16-10-20(28)24(21(29)11-16)15-7-8-18(19(27)9-15)25-31-22-5-3-4-6-23(22)32(25)2/h3-11,17H,12-13H2,1-2H3,(H,30,34)/t17-/m0/s1
InChIKeyODRLONANXIUQDI-KRWDZBQOSA-N
XLogP4.79
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.47
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
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-[[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-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
N-[[3-[3-fluoro-4-(3-fluorophenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142987396
strontium;N-[[(5S)-3-[3-fluoro-4-(4-methanidylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;hydride
CID 173478166
N-[[(5S)-3-[4-[4-[(1,3-benzothiazol-2-ylmethylamino)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23404082
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-(3-fluoro-4-piperazin-1-ylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68938305
N-[[3-[4-(4-cyanophenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 69098886
N-[[3-[3-fluoro-4-(4-isocyanophenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23404253
[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methanesulfinyl iodide
CID 143007056

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)NC[C@H]1CN(c2cc(F)c(-c3ccc(-c4nc5ccccc5n4C)c(F)c3)c(F)c2)C(=O)O1.
What is the InChIKey of 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?
The InChIKey is ODRLONANXIUQDI-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H21F3N4O3/c1-14(34)30-12-17-13-33(26(35)36-17)16-10-20(28)24(21(29)11-16)15-7-8-18(19(27)9-15)25-31-22-5-3-4-6-23(22)32(25)2/h3-11,17H,12-13H2,1-2H3,(H,30,34)/t17-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 494.47 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 11526100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).