(5S)-5-(methoxymethyl)-3-[4-[(3S)-4,4,4-trifluoro-3-hydroxybutoxy]phenyl]-1,3-oxazolidin-2-one

C15H18F3NO5 — CID 18646248

IUPAC(5S)-5-(methoxymethyl)-3-[4-[(3S)-4,4,4-trifluoro-3-hydroxybutoxy]phenyl]-1,3-oxazolidin-2-one
SMILESCOC[C@@H]1CN(c2ccc(OCC[C@H](O)C(F)(F)F)cc2)C(=O)O1
InChIInChI=1S/C15H18F3NO5/c1-22-9-12-8-19(14(21)24-12)10-2-4-11(5-3-10)23-7-6-13(20)15(16,17)18/h2-5,12-13,20H,6-9H2,1H3/t12-,13-/m0/s1
InChIKeyIALVDLPLCLFBCF-STQMWFEESA-N
MW349.31 g/mol
LogP2.35
Rot. Bonds7

About (5S)-5-(methoxymethyl)-3-[4-[(3S)-4,4,4-trifluoro-3-hydroxybutoxy]phenyl]-1,3-oxazolidin-2-one

(5S)-5-(methoxymethyl)-3-[4-[(3S)-4,4,4-trifluoro-3-hydroxybutoxy]phenyl]-1,3-oxazolidin-2-one (PubChem CID 18646248) has the molecular formula C15H18F3NO5 and a molecular weight of 349.31 g/mol. Its IUPAC name is (5S)-5-(methoxymethyl)-3-[4-[(3S)-4,4,4-trifluoro-3-hydroxybutoxy]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(methoxymethyl)-3-[4-[(3S)-4,4,4-trifluoro-3-hydroxybutoxy]phenyl]-1,3-oxazolidin-2-one
PubChem CID18646248
Molecular FormulaC15H18F3NO5
Molecular Weight349.31 g/mol
Exact Mass349.11
IUPAC Name(5S)-5-(methoxymethyl)-3-[4-[(3S)-4,4,4-trifluoro-3-hydroxybutoxy]phenyl]-1,3-oxazolidin-2-one
SMILESCOC[C@@H]1CN(c2ccc(OCC[C@H](O)C(F)(F)F)cc2)C(=O)O1
InChIInChI=1S/C15H18F3NO5/c1-22-9-12-8-19(14(21)24-12)10-2-4-11(5-3-10)23-7-6-13(20)15(16,17)18/h2-5,12-13,20H,6-9H2,1H3/t12-,13-/m0/s1
InChIKeyIALVDLPLCLFBCF-STQMWFEESA-N
XLogP2.35
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5S)-5-(methoxymethyl)-3-[4-[(3S)-4,4,4-trifluoro-3-hydroxybutoxy]phenyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(5R)-5-(methoxymethyl)-3-[4-(4,4,4-trifluorobutoxy)phenyl]-1,3-oxazolidin-2-one
CID 142257657
(5R)-5-(methoxymethyl)-3-[6-[(3R)-4,4,4-trifluoro-3-hydroxybutoxy]-1-benzofuran-3-yl]-1,3-oxazolidin-2-one
CID 54304648
(5R)-5-(methoxymethyl)-3-[4-(3-oxobutoxy)phenyl]-1,3-oxazolidin-2-one
CID 18646211
[(2R)-4-[4-[(5R)-5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]butan-2-yl] acetate
CID 18646229
3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 170608873
5-(methoxymethyl)-3-[4-(oxan-3-ylmethoxy)phenyl]-1,3-oxazolidin-2-one
CID 24840875
(5R)-3-[4-(3-hydroxypropyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 10378182
(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 10411371
4-[2-oxo-5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzonitrile
CID 139661686
3-(4-cyclohexylphenyl)-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 15987062
3-(6-bromo-3-pyridinyl)-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 23371856
3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,3-oxazolidin-2-one
CID 629049

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(methoxymethyl)-3-[4-[(3S)-4,4,4-trifluoro-3-hydroxybutoxy]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(methoxymethyl)-3-[4-[(3S)-4,4,4-trifluoro-3-hydroxybutoxy]phenyl]-1,3-oxazolidin-2-one (CID 18646248) is (5S)-5-(methoxymethyl)-3-[4-[(3S)-4,4,4-trifluoro-3-hydroxybutoxy]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(methoxymethyl)-3-[4-[(3S)-4,4,4-trifluoro-3-hydroxybutoxy]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(methoxymethyl)-3-[4-[(3S)-4,4,4-trifluoro-3-hydroxybutoxy]phenyl]-1,3-oxazolidin-2-one is COC[C@@H]1CN(c2ccc(OCC[C@H](O)C(F)(F)F)cc2)C(=O)O1.
What is the InChIKey of (5S)-5-(methoxymethyl)-3-[4-[(3S)-4,4,4-trifluoro-3-hydroxybutoxy]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is IALVDLPLCLFBCF-STQMWFEESA-N. The full InChI is InChI=1S/C15H18F3NO5/c1-22-9-12-8-19(14(21)24-12)10-2-4-11(5-3-10)23-7-6-13(20)15(16,17)18/h2-5,12-13,20H,6-9H2,1H3/t12-,13-/m0/s1.
What are the key properties of (5S)-5-(methoxymethyl)-3-[4-[(3S)-4,4,4-trifluoro-3-hydroxybutoxy]phenyl]-1,3-oxazolidin-2-one?
(5S)-5-(methoxymethyl)-3-[4-[(3S)-4,4,4-trifluoro-3-hydroxybutoxy]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 349.31 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(methoxymethyl)-3-[4-[(3S)-4,4,4-trifluoro-3-hydroxybutoxy]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 18646248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).