(5S)-3-[3,5-difluoro-4-(4-fluoro-1,1-dioxothian-4-yl)phenyl]-5-ethyl-1,3-oxazolidin-2-one

C16H18F3NO4S — CID 163420465

IUPAC(5S)-3-[3,5-difluoro-4-(4-fluoro-1,1-dioxothian-4-yl)phenyl]-5-ethyl-1,3-oxazolidin-2-one
SMILESCC[C@H]1CN(c2cc(F)c(C3(F)CCS(=O)(=O)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C16H18F3NO4S/c1-2-11-9-20(15(21)24-11)10-7-12(17)14(13(18)8-10)16(19)3-5-25(22,23)6-4-16/h7-8,11H,2-6,9H2,1H3/t11-/m0/s1
InChIKeyCZSTXULDHRHSKX-NSHDSACASA-N
MW377.38 g/mol
LogP3.07
Rot. Bonds3

About (5S)-3-[3,5-difluoro-4-(4-fluoro-1,1-dioxothian-4-yl)phenyl]-5-ethyl-1,3-oxazolidin-2-one

(5S)-3-[3,5-difluoro-4-(4-fluoro-1,1-dioxothian-4-yl)phenyl]-5-ethyl-1,3-oxazolidin-2-one (PubChem CID 163420465) has the molecular formula C16H18F3NO4S and a molecular weight of 377.38 g/mol. Its IUPAC name is (5S)-3-[3,5-difluoro-4-(4-fluoro-1,1-dioxothian-4-yl)phenyl]-5-ethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-[3,5-difluoro-4-(4-fluoro-1,1-dioxothian-4-yl)phenyl]-5-ethyl-1,3-oxazolidin-2-one
PubChem CID163420465
Molecular FormulaC16H18F3NO4S
Molecular Weight377.38 g/mol
Exact Mass377.09
IUPAC Name(5S)-3-[3,5-difluoro-4-(4-fluoro-1,1-dioxothian-4-yl)phenyl]-5-ethyl-1,3-oxazolidin-2-one
SMILESCC[C@H]1CN(c2cc(F)c(C3(F)CCS(=O)(=O)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C16H18F3NO4S/c1-2-11-9-20(15(21)24-11)10-7-12(17)14(13(18)8-10)16(19)3-5-25(22,23)6-4-16/h7-8,11H,2-6,9H2,1H3/t11-/m0/s1
InChIKeyCZSTXULDHRHSKX-NSHDSACASA-N
XLogP3.07
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5S)-3-[3,5-difluoro-4-(4-fluoro-1,1-dioxothian-4-yl)phenyl]-5-ethyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(5R)-3-[3,5-difluoro-4-(4-hydroxy-1,1-dioxothian-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 155004550
(5R)-5-(aminomethyl)-3-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one
CID 68878196
(5S)-3-[4-(4-acetylpiperazin-1-yl)-3,5-difluorophenyl]-5-ethyl-1,3-oxazolidin-2-one
CID 59953051
(5S)-5-ethyl-3-[4-(4-ethylphenyl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 59264706
ethane;5-ethyl-3-[3-fluoro-4-(2,2,6,6-tetrahydroxymorpholin-4-yl)phenyl]-1,3-oxazolidin-2-one
CID 143914751
(5S)-3-[4-[4-(1,3-dimethylazetidin-3-yl)sulfonylphenyl]phenyl]-5-ethyl-1,3-oxazolidin-2-one;(5S)-3-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3,5-difluorophenyl]-5-ethyl-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[3-fluoro-4-(4-fluoro-1,1-dioxothian-4-yl)phenyl]-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[3-fluoro-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[2,3,5-trifluoro-4-(4-fluoro-1,1-dioxothian-4-yl)phenyl]-1,3-oxazolidin-2-one
CID 163576283
3-[4-(2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonan-7-yl)-3,5-difluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 175116474
(5R)-3-[4-(1,1-dioxothian-4-yl)-3,5-difluorophenyl]-5-[(5-methyltetrazol-2-yl)methyl]-1,3-oxazolidin-2-one
CID 10342463
(5S)-5-ethyl-3-[3-fluoro-4-(3-nitrophenyl)phenyl]-1,3-oxazolidin-2-one
CID 157350921
(5S)-5-ethyl-3-[3-fluoro-4-[4-(methylsulfonylmethyl)phenyl]phenyl]-1,3-oxazolidin-2-one
CID 157350922
4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide
CID 158273364
N-[[3-[4-(1,1-dioxothian-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18613632

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[3,5-difluoro-4-(4-fluoro-1,1-dioxothian-4-yl)phenyl]-5-ethyl-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-3-[3,5-difluoro-4-(4-fluoro-1,1-dioxothian-4-yl)phenyl]-5-ethyl-1,3-oxazolidin-2-one (CID 163420465) is (5S)-3-[3,5-difluoro-4-(4-fluoro-1,1-dioxothian-4-yl)phenyl]-5-ethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-3-[3,5-difluoro-4-(4-fluoro-1,1-dioxothian-4-yl)phenyl]-5-ethyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-3-[3,5-difluoro-4-(4-fluoro-1,1-dioxothian-4-yl)phenyl]-5-ethyl-1,3-oxazolidin-2-one is CC[C@H]1CN(c2cc(F)c(C3(F)CCS(=O)(=O)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of (5S)-3-[3,5-difluoro-4-(4-fluoro-1,1-dioxothian-4-yl)phenyl]-5-ethyl-1,3-oxazolidin-2-one?
The InChIKey is CZSTXULDHRHSKX-NSHDSACASA-N. The full InChI is InChI=1S/C16H18F3NO4S/c1-2-11-9-20(15(21)24-11)10-7-12(17)14(13(18)8-10)16(19)3-5-25(22,23)6-4-16/h7-8,11H,2-6,9H2,1H3/t11-/m0/s1.
What are the key properties of (5S)-3-[3,5-difluoro-4-(4-fluoro-1,1-dioxothian-4-yl)phenyl]-5-ethyl-1,3-oxazolidin-2-one?
(5S)-3-[3,5-difluoro-4-(4-fluoro-1,1-dioxothian-4-yl)phenyl]-5-ethyl-1,3-oxazolidin-2-one has a molecular weight of 377.38 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[3,5-difluoro-4-(4-fluoro-1,1-dioxothian-4-yl)phenyl]-5-ethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 163420465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).