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

C22H18F3N3O5 — CID 11712324

IUPACN-[[(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
SMILESCC(=O)NC[C@H]1CN(c2cc(F)c(-c3ccc(-c4cc(CO)on4)c(F)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H18F3N3O5/c1-11(30)26-8-15-9-28(22(31)32-15)13-5-18(24)21(19(25)6-13)12-2-3-16(17(23)4-12)20-7-14(10-29)33-27-20/h2-7,15,29H,8-10H2,1H3,(H,26,30)/t15-/m0/s1
InChIKeyPBMKOEUGEZPBBE-HNNXBMFYSA-N
MW461.40 g/mol
LogP3.38
Rot. Bonds6

About 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

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 (PubChem CID 11712324) has the molecular formula C22H18F3N3O5 and a molecular weight of 461.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[(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
PubChem CID11712324
Molecular FormulaC22H18F3N3O5
Molecular Weight461.40 g/mol
Exact Mass461.12
IUPAC NameN-[[(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
SMILESCC(=O)NC[C@H]1CN(c2cc(F)c(-c3ccc(-c4cc(CO)on4)c(F)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H18F3N3O5/c1-11(30)26-8-15-9-28(22(31)32-15)13-5-18(24)21(19(25)6-13)12-2-3-16(17(23)4-12)20-7-14(10-29)33-27-20/h2-7,15,29H,8-10H2,1H3,(H,26,30)/t15-/m0/s1
InChIKeyPBMKOEUGEZPBBE-HNNXBMFYSA-N
XLogP3.38
TPSA104.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-[4-[4-[3-(3-bromo-1,2-oxazol-5-yl)propyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58045619
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-[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-fluoro-4-[4-[3-[5-(hydroxymethyl)furan-2-yl]propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58045621
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-isocyanophenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23404253
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-[4-(4-cyanophenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 69098886
N-[[(5S)-3-[3-fluoro-4-[4-[3-(2H-tetrazol-5-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58045423
3-[[(5S)-3-[4-[4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-3-oxopropanoic acid
CID 10370215
N-[[3-[3-fluoro-4-[4-(hydroxyiminomethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 173196227

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)NC[C@H]1CN(c2cc(F)c(-c3ccc(-c4cc(CO)on4)c(F)c3)c(F)c2)C(=O)O1.
What is the InChIKey of 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?
The InChIKey is PBMKOEUGEZPBBE-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H18F3N3O5/c1-11(30)26-8-15-9-28(22(31)32-15)13-5-18(24)21(19(25)6-13)12-2-3-16(17(23)4-12)20-7-14(10-29)33-27-20/h2-7,15,29H,8-10H2,1H3,(H,26,30)/t15-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 461.40 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 11712324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).