N-[[(5S)-3-[3-fluoro-4-[2-(3-hydroxyphenyl)ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C20H17FN2O4 — CID 10177051

IUPACN-[[(5S)-3-[3-fluoro-4-[2-(3-hydroxyphenyl)ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C#Cc3cccc(O)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H17FN2O4/c1-13(24)22-11-18-12-23(20(26)27-18)16-8-7-15(19(21)10-16)6-5-14-3-2-4-17(25)9-14/h2-4,7-10,18,25H,11-12H2,1H3,(H,22,24)/t18-/m0/s1
InChIKeyPSJAYOJYBXEGHP-SFHVURJKSA-N
MW368.36 g/mol
LogP2.39
Rot. Bonds3

About N-[[(5S)-3-[3-fluoro-4-[2-(3-hydroxyphenyl)ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-[2-(3-hydroxyphenyl)ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10177051) has the molecular formula C20H17FN2O4 and a molecular weight of 368.36 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[2-(3-hydroxyphenyl)ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[2-(3-hydroxyphenyl)ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10177051
Molecular FormulaC20H17FN2O4
Molecular Weight368.36 g/mol
Exact Mass368.12
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[2-(3-hydroxyphenyl)ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(C#Cc3cccc(O)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H17FN2O4/c1-13(24)22-11-18-12-23(20(26)27-18)16-8-7-15(19(21)10-16)6-5-14-3-2-4-17(25)9-14/h2-4,7-10,18,25H,11-12H2,1H3,(H,22,24)/t18-/m0/s1
InChIKeyPSJAYOJYBXEGHP-SFHVURJKSA-N
XLogP2.39
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[3-[3-fluoro-4-[[7-oxo-4-(2-phenylethynyl)cyclohepta-1,3,5-trien-1-yl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 163562195
4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoic acid
CID 129386385
N-[[(5S)-3-[3-fluoro-4-[2-(1,5-naphthyridin-2-yl)ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70124335
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-phenylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67226556
N-[[(5S)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522
N-[[3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22625716
N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
N-[[(5S)-3-(3-hydroxy-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57061555
N-[[3-[4-(4-cyanophenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 69098886
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20666078
strontium;N-[[(5S)-3-[3-fluoro-4-(4-methanidylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;hydride
CID 173478166

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[2-(3-hydroxyphenyl)ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[2-(3-hydroxyphenyl)ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10177051) is N-[[(5S)-3-[3-fluoro-4-[2-(3-hydroxyphenyl)ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[2-(3-hydroxyphenyl)ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[2-(3-hydroxyphenyl)ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(C#Cc3cccc(O)c3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[2-(3-hydroxyphenyl)ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is PSJAYOJYBXEGHP-SFHVURJKSA-N. The full InChI is InChI=1S/C20H17FN2O4/c1-13(24)22-11-18-12-23(20(26)27-18)16-8-7-15(19(21)10-16)6-5-14-3-2-4-17(25)9-14/h2-4,7-10,18,25H,11-12H2,1H3,(H,22,24)/t18-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[2-(3-hydroxyphenyl)ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[2-(3-hydroxyphenyl)ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 368.36 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[2-(3-hydroxyphenyl)ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10177051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).