3-[3-fluoro-4-[(4R)-2-hydroxythian-4-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

C15H18FNO4S — CID 70196946

IUPAC3-[3-fluoro-4-[(4R)-2-hydroxythian-4-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CO)CN1c1ccc([C@@H]2CCSC(O)C2)c(F)c1
InChIInChI=1S/C15H18FNO4S/c16-13-6-10(17-7-11(8-18)21-15(17)20)1-2-12(13)9-3-4-22-14(19)5-9/h1-2,6,9,11,14,18-19H,3-5,7-8H2/t9-,11?,14?/m1/s1
InChIKeyXKEMZNIMGSGOIX-FDMSEYEVSA-N
MW327.38 g/mol
LogP2.07
Rot. Bonds3

About 3-[3-fluoro-4-[(4R)-2-hydroxythian-4-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

3-[3-fluoro-4-[(4R)-2-hydroxythian-4-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 70196946) has the molecular formula C15H18FNO4S and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-[3-fluoro-4-[(4R)-2-hydroxythian-4-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-fluoro-4-[(4R)-2-hydroxythian-4-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID70196946
Molecular FormulaC15H18FNO4S
Molecular Weight327.38 g/mol
Exact Mass327.09
IUPAC Name3-[3-fluoro-4-[(4R)-2-hydroxythian-4-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CO)CN1c1ccc([C@@H]2CCSC(O)C2)c(F)c1
InChIInChI=1S/C15H18FNO4S/c16-13-6-10(17-7-11(8-18)21-15(17)20)1-2-12(13)9-3-4-22-14(19)5-9/h1-2,6,9,11,14,18-19H,3-5,7-8H2/t9-,11?,14?/m1/s1
InChIKeyXKEMZNIMGSGOIX-FDMSEYEVSA-N
XLogP2.07
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-3-[4-(3,6-dihydro-2H-pyran-2-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 54325845
3-(3-fluoro-4-prop-2-enylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 91270425
3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 54334011
3-[4-(2,5-dihydropyrrol-1-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 123927196
2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzonitrile
CID 78008729
[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]boronic acid;methane
CID 145042333
N-[4-[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]thian-1-ylidene]-4-methylbenzenesulfonamide
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N-[[(5S)-3-[4-[(3S)-3,4-dihydroxycyclohexyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,2-difluoroethanethioamide
CID 59994637
(5R)-3-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 10566736
3-[3-fluoro-4-(2-sulfanylidene-1,3-thiazolidin-3-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 22181707
3-[3-fluoro-4-(4-oxopiperidin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 68698798
N-[[3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-[(4R)-2-hydroxythian-4-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-fluoro-4-[(4R)-2-hydroxythian-4-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 70196946) is 3-[3-fluoro-4-[(4R)-2-hydroxythian-4-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-fluoro-4-[(4R)-2-hydroxythian-4-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-fluoro-4-[(4R)-2-hydroxythian-4-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is O=C1OC(CO)CN1c1ccc([C@@H]2CCSC(O)C2)c(F)c1.
What is the InChIKey of 3-[3-fluoro-4-[(4R)-2-hydroxythian-4-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is XKEMZNIMGSGOIX-FDMSEYEVSA-N. The full InChI is InChI=1S/C15H18FNO4S/c16-13-6-10(17-7-11(8-18)21-15(17)20)1-2-12(13)9-3-4-22-14(19)5-9/h1-2,6,9,11,14,18-19H,3-5,7-8H2/t9-,11?,14?/m1/s1.
What are the key properties of 3-[3-fluoro-4-[(4R)-2-hydroxythian-4-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
3-[3-fluoro-4-[(4R)-2-hydroxythian-4-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 327.38 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-[(4R)-2-hydroxythian-4-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 70196946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).