N-[[3-[4-(3,4-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide

C17H19FN2O3S — CID 57179456

IUPACN-[[3-[4-(3,4-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1COC(=O)N1c1ccc(C2C=CSCC2)c(F)c1
InChIInChI=1S/C17H19FN2O3S/c1-11(21)19-9-14-10-23-17(22)20(14)13-2-3-15(16(18)8-13)12-4-6-24-7-5-12/h2-4,6,8,12,14H,5,7,9-10H2,1H3,(H,19,21)
InChIKeyFDLFZNOVHXJXHM-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.02
Rot. Bonds4

About N-[[3-[4-(3,4-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide

N-[[3-[4-(3,4-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide (PubChem CID 57179456) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[[3-[4-(3,4-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[4-(3,4-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide
PubChem CID57179456
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC NameN-[[3-[4-(3,4-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1COC(=O)N1c1ccc(C2C=CSCC2)c(F)c1
InChIInChI=1S/C17H19FN2O3S/c1-11(21)19-9-14-10-23-17(22)20(14)13-2-3-15(16(18)8-13)12-4-6-24-7-5-12/h2-4,6,8,12,14H,5,7,9-10H2,1H3,(H,19,21)
InChIKeyFDLFZNOVHXJXHM-UHFFFAOYSA-N
XLogP3.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(4S)-3-[4-(2,3-dihydrothiophen-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide
CID 54226334
N-[[3-[4-(1,1-dioxothian-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]ethanethioamide
CID 90729376
N-[[(4S)-3-[3-fluoro-4-(4-nitrosopiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide
CID 54525233
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-[[(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-(3,4-dihydro-1H-isothiochromen-7-yl)-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide
CID 91082350
N-[[(4S)-3-[3-fluoro-4-[3-(methoxyiminomethyl)pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide
CID 54238701
N-[[3-[3-fluoro-4-[(2S)-thian-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 90913950
N-[[3-[4-(1,1-dioxothian-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18613632
N-[[(5S)-3-[3-fluoro-4-[(1R,3S)-3-hydroxy-4-oxocyclohexyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59994588
N-[[3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22625716
N-[(3-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]acetamide
CID 143626147

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(3,4-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[3-[4-(3,4-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide (CID 57179456) is N-[[3-[4-(3,4-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[4-(3,4-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[4-(3,4-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide is CC(=O)NCC1COC(=O)N1c1ccc(C2C=CSCC2)c(F)c1.
What is the InChIKey of N-[[3-[4-(3,4-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide?
The InChIKey is FDLFZNOVHXJXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-11(21)19-9-14-10-23-17(22)20(14)13-2-3-15(16(18)8-13)12-4-6-24-7-5-12/h2-4,6,8,12,14H,5,7,9-10H2,1H3,(H,19,21).
What are the key properties of N-[[3-[4-(3,4-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide?
N-[[3-[4-(3,4-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide has a molecular weight of 350.42 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(3,4-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide is sourced from PubChem (CID 57179456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).