(5R)-5-(methoxymethyl)-3-[4-(4,4,4-trifluorobutoxy)phenyl]-1,3-oxazolidin-2-one

C15H18F3NO4 — CID 142257657

IUPAC(5R)-5-(methoxymethyl)-3-[4-(4,4,4-trifluorobutoxy)phenyl]-1,3-oxazolidin-2-one
SMILESCOC[C@H]1CN(c2ccc(OCCCC(F)(F)F)cc2)C(=O)O1
InChIInChI=1S/C15H18F3NO4/c1-21-10-13-9-19(14(20)23-13)11-3-5-12(6-4-11)22-8-2-7-15(16,17)18/h3-6,13H,2,7-10H2,1H3/t13-/m1/s1
InChIKeyMMEYOQLFVREMPI-CYBMUJFWSA-N
MW333.31 g/mol
LogP3.38
Rot. Bonds7

About (5R)-5-(methoxymethyl)-3-[4-(4,4,4-trifluorobutoxy)phenyl]-1,3-oxazolidin-2-one

(5R)-5-(methoxymethyl)-3-[4-(4,4,4-trifluorobutoxy)phenyl]-1,3-oxazolidin-2-one (PubChem CID 142257657) has the molecular formula C15H18F3NO4 and a molecular weight of 333.31 g/mol. Its IUPAC name is (5R)-5-(methoxymethyl)-3-[4-(4,4,4-trifluorobutoxy)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(methoxymethyl)-3-[4-(4,4,4-trifluorobutoxy)phenyl]-1,3-oxazolidin-2-one
PubChem CID142257657
Molecular FormulaC15H18F3NO4
Molecular Weight333.31 g/mol
Exact Mass333.12
IUPAC Name(5R)-5-(methoxymethyl)-3-[4-(4,4,4-trifluorobutoxy)phenyl]-1,3-oxazolidin-2-one
SMILESCOC[C@H]1CN(c2ccc(OCCCC(F)(F)F)cc2)C(=O)O1
InChIInChI=1S/C15H18F3NO4/c1-21-10-13-9-19(14(20)23-13)11-3-5-12(6-4-11)22-8-2-7-15(16,17)18/h3-6,13H,2,7-10H2,1H3/t13-/m1/s1
InChIKeyMMEYOQLFVREMPI-CYBMUJFWSA-N
XLogP3.38
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-(methoxymethyl)-3-[4-[(3S)-4,4,4-trifluoro-3-hydroxybutoxy]phenyl]-1,3-oxazolidin-2-one
CID 18646248
(5R)-5-(methoxymethyl)-3-[4-(3-oxobutoxy)phenyl]-1,3-oxazolidin-2-one
CID 18646211
(5R)-5-(methoxymethyl)-3-[6-(4,4,4-trifluorobutoxy)-1-benzofuran-3-yl]-1,3-oxazolidin-2-one
CID 57298262
[(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
(5R)-5-(methoxymethyl)-3-[2-(3,3,3-trifluoropropyl)-2,3-dihydro-1-benzofuran-5-yl]-1,3-oxazolidin-2-one
CID 15345676
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
5-[(4-butylphenoxy)methyl]-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 139671317
(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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(methoxymethyl)-3-[4-(4,4,4-trifluorobutoxy)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(methoxymethyl)-3-[4-(4,4,4-trifluorobutoxy)phenyl]-1,3-oxazolidin-2-one (CID 142257657) is (5R)-5-(methoxymethyl)-3-[4-(4,4,4-trifluorobutoxy)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(methoxymethyl)-3-[4-(4,4,4-trifluorobutoxy)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(methoxymethyl)-3-[4-(4,4,4-trifluorobutoxy)phenyl]-1,3-oxazolidin-2-one is COC[C@H]1CN(c2ccc(OCCCC(F)(F)F)cc2)C(=O)O1.
What is the InChIKey of (5R)-5-(methoxymethyl)-3-[4-(4,4,4-trifluorobutoxy)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is MMEYOQLFVREMPI-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18F3NO4/c1-21-10-13-9-19(14(20)23-13)11-3-5-12(6-4-11)22-8-2-7-15(16,17)18/h3-6,13H,2,7-10H2,1H3/t13-/m1/s1.
What are the key properties of (5R)-5-(methoxymethyl)-3-[4-(4,4,4-trifluorobutoxy)phenyl]-1,3-oxazolidin-2-one?
(5R)-5-(methoxymethyl)-3-[4-(4,4,4-trifluorobutoxy)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 333.31 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(methoxymethyl)-3-[4-(4,4,4-trifluorobutoxy)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 142257657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).