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

C17H21FN2O3S — CID 90913950

IUPACN-[[3-[3-fluoro-4-[(2S)-thian-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc([C@@H]3CCCCS3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H21FN2O3S/c1-11(21)19-9-13-10-20(17(22)23-13)12-5-6-14(15(18)8-12)16-4-2-3-7-24-16/h5-6,8,13,16H,2-4,7,9-10H2,1H3,(H,19,21)/t13?,16-/m0/s1
InChIKeyNECSAVDZYWQJBN-VYIIXAMBSA-N
MW352.43 g/mol
LogP3.25
Rot. Bonds4

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

N-[[3-[3-fluoro-4-[(2S)-thian-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 90913950) has the molecular formula C17H21FN2O3S and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[[3-[3-fluoro-4-[(2S)-thian-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[3-fluoro-4-[(2S)-thian-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID90913950
Molecular FormulaC17H21FN2O3S
Molecular Weight352.43 g/mol
Exact Mass352.13
IUPAC NameN-[[3-[3-fluoro-4-[(2S)-thian-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc([C@@H]3CCCCS3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H21FN2O3S/c1-11(21)19-9-13-10-20(17(22)23-13)12-5-6-14(15(18)8-12)16-4-2-3-7-24-16/h5-6,8,13,16H,2-4,7,9-10H2,1H3,(H,19,21)/t13?,16-/m0/s1
InChIKeyNECSAVDZYWQJBN-VYIIXAMBSA-N
XLogP3.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22625716
N-[[3-[4-(1,1-dioxothian-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18613632
dimethylphosphane;N-[[(5S)-3-[3-fluoro-4-(4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-(4-oxocyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 161488217
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-[[(5S)-3-[3-fluoro-4-[(1R)-4-hydroxy-3-oxocyclohexyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 91299786
N-[[3-[3-fluoro-4-(oxazepan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70342294
N-[[(5S)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522
N-[[3-[3-fluoro-4-(1,5-thiazocan-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 126483722
4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoic acid
CID 129386385
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-fluoro-4-(3-hydroxy-2-oxopyrrolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142714003
N-[[(5S)-3-[4-(2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 163896499

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-fluoro-4-[(2S)-thian-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[3-fluoro-4-[(2S)-thian-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 90913950) is N-[[3-[3-fluoro-4-[(2S)-thian-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[3-fluoro-4-[(2S)-thian-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[3-fluoro-4-[(2S)-thian-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc([C@@H]3CCCCS3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[3-[3-fluoro-4-[(2S)-thian-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is NECSAVDZYWQJBN-VYIIXAMBSA-N. The full InChI is InChI=1S/C17H21FN2O3S/c1-11(21)19-9-13-10-20(17(22)23-13)12-5-6-14(15(18)8-12)16-4-2-3-7-24-16/h5-6,8,13,16H,2-4,7,9-10H2,1H3,(H,19,21)/t13?,16-/m0/s1.
What are the key properties of N-[[3-[3-fluoro-4-[(2S)-thian-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[3-fluoro-4-[(2S)-thian-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 352.43 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-fluoro-4-[(2S)-thian-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 90913950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).