3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-5-(hydroxymethyl)oxolan-2-one

C15H18FNO3S — CID 67654569

IUPAC3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-5-(hydroxymethyl)oxolan-2-one
SMILESO=C1OC(CO)CC1c1ccc(N2CCSCC2)c(F)c1
InChIInChI=1S/C15H18FNO3S/c16-13-7-10(12-8-11(9-18)20-15(12)19)1-2-14(13)17-3-5-21-6-4-17/h1-2,7,11-12,18H,3-6,8-9H2
InChIKeyYFFYERQNPBRKFF-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.77
Rot. Bonds3

About 3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-5-(hydroxymethyl)oxolan-2-one

3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-5-(hydroxymethyl)oxolan-2-one (PubChem CID 67654569) has the molecular formula C15H18FNO3S and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-5-(hydroxymethyl)oxolan-2-one.

Molecular Properties

Compound Name3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-5-(hydroxymethyl)oxolan-2-one
PubChem CID67654569
Molecular FormulaC15H18FNO3S
Molecular Weight311.38 g/mol
Exact Mass311.10
IUPAC Name3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-5-(hydroxymethyl)oxolan-2-one
SMILESO=C1OC(CO)CC1c1ccc(N2CCSCC2)c(F)c1
InChIInChI=1S/C15H18FNO3S/c16-13-7-10(12-8-11(9-18)20-15(12)19)1-2-14(13)17-3-5-21-6-4-17/h1-2,7,11-12,18H,3-6,8-9H2
InChIKeyYFFYERQNPBRKFF-UHFFFAOYSA-N
XLogP1.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 54334011
(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one
CID 10806051
N-[[(4R)-4-[3-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-5-oxooxolan-2-yl]methyl]acetamide
CID 139816110
N-[[(2R)-4-[4-[4-(2-cyanoethyl)piperazin-1-yl]-3-fluorophenyl]-5-oxooxolan-2-yl]methyl]acetamide
CID 67654629
(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-5-(3-oxobutyl)-1,3-oxazolidin-2-one
CID 58372627
1-[[(2S)-4-[4-[4-(cyanomethylidene)piperidin-1-yl]-3-fluorophenyl]-5-oxooxolan-2-yl]methyl]-1-(2-hydroxyethyl)thiourea
CID 24886807
3-[3-fluoro-4-(4-oxopiperidin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 68698798
1-[[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-methylthiourea
CID 21187491
N-[[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclopentanecarbothioamide
CID 18619435
(5R)-3-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 101167179
3-[3-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 22943616
(5R)-3-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 10566736

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-5-(hydroxymethyl)oxolan-2-one?
The IUPAC name of 3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-5-(hydroxymethyl)oxolan-2-one (CID 67654569) is 3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-5-(hydroxymethyl)oxolan-2-one.
What is the SMILES notation for 3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-5-(hydroxymethyl)oxolan-2-one?
The canonical SMILES for 3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-5-(hydroxymethyl)oxolan-2-one is O=C1OC(CO)CC1c1ccc(N2CCSCC2)c(F)c1.
What is the InChIKey of 3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-5-(hydroxymethyl)oxolan-2-one?
The InChIKey is YFFYERQNPBRKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3S/c16-13-7-10(12-8-11(9-18)20-15(12)19)1-2-14(13)17-3-5-21-6-4-17/h1-2,7,11-12,18H,3-6,8-9H2.
What are the key properties of 3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-5-(hydroxymethyl)oxolan-2-one?
3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-5-(hydroxymethyl)oxolan-2-one has a molecular weight of 311.38 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-5-(hydroxymethyl)oxolan-2-one is sourced from PubChem (CID 67654569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).