3-[(R)-[4-(3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-hydroxymethyl]-1,3-oxazolidin-2-one

C15H16FNO3S — CID 54450857

IUPAC3-[(R)-[4-(3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-hydroxymethyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1[C@H](O)c1ccc(C2=CCSCC2)c(F)c1
InChIInChI=1S/C15H16FNO3S/c16-13-9-11(14(18)17-5-6-20-15(17)19)1-2-12(13)10-3-7-21-8-4-10/h1-3,9,14,18H,4-8H2/t14-/m1/s1
InChIKeyWUWHWUTZKGZDHI-CQSZACIVSA-N
MW309.36 g/mol
LogP2.79
Rot. Bonds3

About 3-[(R)-[4-(3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-hydroxymethyl]-1,3-oxazolidin-2-one

3-[(R)-[4-(3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-hydroxymethyl]-1,3-oxazolidin-2-one (PubChem CID 54450857) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is 3-[(R)-[4-(3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-hydroxymethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(R)-[4-(3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-hydroxymethyl]-1,3-oxazolidin-2-one
PubChem CID54450857
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Name3-[(R)-[4-(3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-hydroxymethyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1[C@H](O)c1ccc(C2=CCSCC2)c(F)c1
InChIInChI=1S/C15H16FNO3S/c16-13-9-11(14(18)17-5-6-20-15(17)19)1-2-12(13)10-3-7-21-8-4-10/h1-3,9,14,18H,4-8H2/t14-/m1/s1
InChIKeyWUWHWUTZKGZDHI-CQSZACIVSA-N
XLogP2.79
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(R)-[4-(3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-hydroxymethyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

2-(2,4-Difluorophenyl)-3-(2-hydroxy-2-phenylethyl)-1,3-thiazolidin-4-one
CID 24712238
2-(3-Fluorophenyl)-3-(2-hydroxy-2-phenylethyl)-1,3-thiazolidin-4-one
CID 24712239
3-(2-Hydroxy-2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 46137645
3-[(R)-[4-(3,6-dihydro-2H-pyran-4-yl)-3-fluorophenyl]-hydroxymethyl]-1,3-oxazolidin-2-one
CID 53871207
Tert-butyl 2-[3-fluoro-4-(hydroxymethyl)phenyl]pyrrolidine-1-carboxylate
CID 118212263
Tert-butyl 2-[2-fluoro-4-(hydroxymethyl)phenyl]pyrrolidine-1-carboxylate
CID 118220559
2-[3-Fluoro-4-(hydroxymethyl)phenyl]pyrrolidine-1-carboxylic acid
CID 153409461
(2S)-2-(2,4-difluorophenyl)-3-[(2S)-2-hydroxy-2-phenylethyl]-1,3-thiazolidin-4-one
CID 8050333
(2S)-2-(2,4-difluorophenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]-1,3-thiazolidin-4-one
CID 8050334
(2R)-2-(2,4-difluorophenyl)-3-[(2S)-2-hydroxy-2-phenylethyl]-1,3-thiazolidin-4-one
CID 8050335
(2R)-2-(2,4-difluorophenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]-1,3-thiazolidin-4-one
CID 8050336
(2S)-2-(4-fluorophenyl)-3-[(2S)-2-hydroxy-2-phenylethyl]-1,3-thiazolidin-4-one
CID 8051733

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-[4-(3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-hydroxymethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(R)-[4-(3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-hydroxymethyl]-1,3-oxazolidin-2-one (CID 54450857) is 3-[(R)-[4-(3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-hydroxymethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(R)-[4-(3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-hydroxymethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(R)-[4-(3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-hydroxymethyl]-1,3-oxazolidin-2-one is O=C1OCCN1[C@H](O)c1ccc(C2=CCSCC2)c(F)c1.
What is the InChIKey of 3-[(R)-[4-(3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-hydroxymethyl]-1,3-oxazolidin-2-one?
The InChIKey is WUWHWUTZKGZDHI-CQSZACIVSA-N. The full InChI is InChI=1S/C15H16FNO3S/c16-13-9-11(14(18)17-5-6-20-15(17)19)1-2-12(13)10-3-7-21-8-4-10/h1-3,9,14,18H,4-8H2/t14-/m1/s1.
What are the key properties of 3-[(R)-[4-(3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-hydroxymethyl]-1,3-oxazolidin-2-one?
3-[(R)-[4-(3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-hydroxymethyl]-1,3-oxazolidin-2-one has a molecular weight of 309.36 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-[4-(3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-hydroxymethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 54450857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).