N-[[(4S)-3-[4-(2,3-dihydrothiophen-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide

C16H17FN2O3S — CID 54226334

IUPACN-[[(4S)-3-[4-(2,3-dihydrothiophen-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1COC(=O)N1c1ccc(C2C=CSC2)c(F)c1
InChIInChI=1S/C16H17FN2O3S/c1-10(20)18-7-13-8-22-16(21)19(13)12-2-3-14(15(17)6-12)11-4-5-23-9-11/h2-6,11,13H,7-9H2,1H3,(H,18,20)/t11?,13-/m0/s1
InChIKeyQGCQVFQXBIWHTJ-YUZLPWPTSA-N
MW336.39 g/mol
LogP2.63
Rot. Bonds4

About N-[[(4S)-3-[4-(2,3-dihydrothiophen-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide

N-[[(4S)-3-[4-(2,3-dihydrothiophen-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide (PubChem CID 54226334) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[[(4S)-3-[4-(2,3-dihydrothiophen-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(4S)-3-[4-(2,3-dihydrothiophen-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide
PubChem CID54226334
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC NameN-[[(4S)-3-[4-(2,3-dihydrothiophen-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1COC(=O)N1c1ccc(C2C=CSC2)c(F)c1
InChIInChI=1S/C16H17FN2O3S/c1-10(20)18-7-13-8-22-16(21)19(13)12-2-3-14(15(17)6-12)11-4-5-23-9-11/h2-6,11,13H,7-9H2,1H3,(H,18,20)/t11?,13-/m0/s1
InChIKeyQGCQVFQXBIWHTJ-YUZLPWPTSA-N
XLogP2.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[4-(3,4-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide
CID 57179456
N-[[(4S)-3-[3-fluoro-4-(4-nitrosopiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide
CID 54525233
N-[[3-(3,4-dihydro-1H-isothiochromen-7-yl)-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide
CID 91082350
N-[[3-[4-(1,1-dioxothian-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]ethanethioamide
CID 90729376
N-[[3-[4-(1,1-dioxo-3,4-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]-2,2-difluoroethanethioamide
CID 91420942
N-[[(4S)-3-[3-fluoro-4-[3-(methoxyiminomethyl)pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide
CID 54238701
N-[[(5S)-3-[4-(3,4-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,2,2-trifluoroacetamide
CID 10237733
N-[(3-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]acetamide
CID 143626147
N-[[3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22625716
N-[[3-[3-fluoro-4-[(2S)-thian-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 90913950
N-[[3-[4-(3,4-dihydro-2H-pyrrol-3-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]propanamide
CID 90968927
N-[[(5S)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522

Frequently Asked Questions

What is the IUPAC name of N-[[(4S)-3-[4-(2,3-dihydrothiophen-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[(4S)-3-[4-(2,3-dihydrothiophen-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide (CID 54226334) is N-[[(4S)-3-[4-(2,3-dihydrothiophen-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[(4S)-3-[4-(2,3-dihydrothiophen-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[(4S)-3-[4-(2,3-dihydrothiophen-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide is CC(=O)NC[C@H]1COC(=O)N1c1ccc(C2C=CSC2)c(F)c1.
What is the InChIKey of N-[[(4S)-3-[4-(2,3-dihydrothiophen-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide?
The InChIKey is QGCQVFQXBIWHTJ-YUZLPWPTSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c1-10(20)18-7-13-8-22-16(21)19(13)12-2-3-14(15(17)6-12)11-4-5-23-9-11/h2-6,11,13H,7-9H2,1H3,(H,18,20)/t11?,13-/m0/s1.
What are the key properties of N-[[(4S)-3-[4-(2,3-dihydrothiophen-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide?
N-[[(4S)-3-[4-(2,3-dihydrothiophen-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide has a molecular weight of 336.39 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4S)-3-[4-(2,3-dihydrothiophen-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide is sourced from PubChem (CID 54226334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).