N-[[(5S)-3-[3-fluoro-4-[1-(hydroxymethyl)-3-oxo-5,8-dihydro-[1,3]oxazolo[3,4-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C20H20FN3O6 — CID 21352840

IUPACN-[[(5S)-3-[3-fluoro-4-[1-(hydroxymethyl)-3-oxo-5,8-dihydro-[1,3]oxazolo[3,4-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C3=CCn4c(c(CO)oc4=O)C3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H20FN3O6/c1-11(26)22-8-14-9-24(20(28)29-14)13-2-3-15(16(21)7-13)12-4-5-23-17(6-12)18(10-25)30-19(23)27/h2-4,7,14,25H,5-6,8-10H2,1H3,(H,22,26)/t14-/m0/s1
InChIKeyGNRBJGIMZYDBOQ-AWEZNQCLSA-N
MW417.39 g/mol
LogP1.17
Rot. Bonds5

About N-[[(5S)-3-[3-fluoro-4-[1-(hydroxymethyl)-3-oxo-5,8-dihydro-[1,3]oxazolo[3,4-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-[1-(hydroxymethyl)-3-oxo-5,8-dihydro-[1,3]oxazolo[3,4-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 21352840) has the molecular formula C20H20FN3O6 and a molecular weight of 417.39 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[1-(hydroxymethyl)-3-oxo-5,8-dihydro-[1,3]oxazolo[3,4-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[1-(hydroxymethyl)-3-oxo-5,8-dihydro-[1,3]oxazolo[3,4-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID21352840
Molecular FormulaC20H20FN3O6
Molecular Weight417.39 g/mol
Exact Mass417.13
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[1-(hydroxymethyl)-3-oxo-5,8-dihydro-[1,3]oxazolo[3,4-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C3=CCn4c(c(CO)oc4=O)C3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H20FN3O6/c1-11(26)22-8-14-9-24(20(28)29-14)13-2-3-15(16(21)7-13)12-4-5-23-17(6-12)18(10-25)30-19(23)27/h2-4,7,14,25H,5-6,8-10H2,1H3,(H,22,26)/t14-/m0/s1
InChIKeyGNRBJGIMZYDBOQ-AWEZNQCLSA-N
XLogP1.17
TPSA114.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.39
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[(5S)-3-[3-fluoro-4-[1-(hydroxymethyl)-3-oxo-5,8-dihydro-[1,3]oxazolo[3,4-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide with MolForge

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Related Compounds

N-[[(5S)-3-[3-fluoro-4-[1-(hydroxymethyl)-5,8-dihydroimidazo[1,5-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21352841
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
strontium;N-[[(5S)-3-[3-fluoro-4-(4-methanidylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;hydride
CID 173478166
N-[[3-[4-(4-cyanophenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 69098886
methyl 2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoacetate
CID 70117574
N-[[(5S)-3-[3-fluoro-4-[1-(hydroxymethyl)-3-oxo-5,8-dihydro-[1,3]oxazolo[3,4-a]pyridin-8-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57013307
N-[[3-[3-fluoro-4-(3-fluorophenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142987396
N-[[3-[3-fluoro-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22274293
[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methanesulfinyl iodide
CID 143007056
N-[[3-[3-fluoro-4-[(1S)-1-oxo-3,6-dihydro-2H-thiopyran-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57138415
N-[[(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methanesulfonamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10392453

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[1-(hydroxymethyl)-3-oxo-5,8-dihydro-[1,3]oxazolo[3,4-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[1-(hydroxymethyl)-3-oxo-5,8-dihydro-[1,3]oxazolo[3,4-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 21352840) is N-[[(5S)-3-[3-fluoro-4-[1-(hydroxymethyl)-3-oxo-5,8-dihydro-[1,3]oxazolo[3,4-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[1-(hydroxymethyl)-3-oxo-5,8-dihydro-[1,3]oxazolo[3,4-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[1-(hydroxymethyl)-3-oxo-5,8-dihydro-[1,3]oxazolo[3,4-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(C3=CCn4c(c(CO)oc4=O)C3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[1-(hydroxymethyl)-3-oxo-5,8-dihydro-[1,3]oxazolo[3,4-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is GNRBJGIMZYDBOQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H20FN3O6/c1-11(26)22-8-14-9-24(20(28)29-14)13-2-3-15(16(21)7-13)12-4-5-23-17(6-12)18(10-25)30-19(23)27/h2-4,7,14,25H,5-6,8-10H2,1H3,(H,22,26)/t14-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[1-(hydroxymethyl)-3-oxo-5,8-dihydro-[1,3]oxazolo[3,4-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[1-(hydroxymethyl)-3-oxo-5,8-dihydro-[1,3]oxazolo[3,4-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 417.39 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[1-(hydroxymethyl)-3-oxo-5,8-dihydro-[1,3]oxazolo[3,4-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 21352840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).