(5R)-5-(methoxymethyl)-3-[6-(4,4,4-trifluorobutoxy)-1-benzofuran-3-yl]-1,3-oxazolidin-2-one

C17H18F3NO5 — CID 57298262

IUPAC(5R)-5-(methoxymethyl)-3-[6-(4,4,4-trifluorobutoxy)-1-benzofuran-3-yl]-1,3-oxazolidin-2-one
SMILESCOC[C@H]1CN(c2coc3cc(OCCCC(F)(F)F)ccc23)C(=O)O1
InChIInChI=1S/C17H18F3NO5/c1-23-9-12-8-21(16(22)26-12)14-10-25-15-7-11(3-4-13(14)15)24-6-2-5-17(18,19)20/h3-4,7,10,12H,2,5-6,8-9H2,1H3/t12-/m1/s1
InChIKeyFEVVKOGNERNVOW-GFCCVEGCSA-N
MW373.33 g/mol
LogP4.13
Rot. Bonds7

About (5R)-5-(methoxymethyl)-3-[6-(4,4,4-trifluorobutoxy)-1-benzofuran-3-yl]-1,3-oxazolidin-2-one

(5R)-5-(methoxymethyl)-3-[6-(4,4,4-trifluorobutoxy)-1-benzofuran-3-yl]-1,3-oxazolidin-2-one (PubChem CID 57298262) has the molecular formula C17H18F3NO5 and a molecular weight of 373.33 g/mol. Its IUPAC name is (5R)-5-(methoxymethyl)-3-[6-(4,4,4-trifluorobutoxy)-1-benzofuran-3-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(methoxymethyl)-3-[6-(4,4,4-trifluorobutoxy)-1-benzofuran-3-yl]-1,3-oxazolidin-2-one
PubChem CID57298262
Molecular FormulaC17H18F3NO5
Molecular Weight373.33 g/mol
Exact Mass373.11
IUPAC Name(5R)-5-(methoxymethyl)-3-[6-(4,4,4-trifluorobutoxy)-1-benzofuran-3-yl]-1,3-oxazolidin-2-one
SMILESCOC[C@H]1CN(c2coc3cc(OCCCC(F)(F)F)ccc23)C(=O)O1
InChIInChI=1S/C17H18F3NO5/c1-23-9-12-8-21(16(22)26-12)14-10-25-15-7-11(3-4-13(14)15)24-6-2-5-17(18,19)20/h3-4,7,10,12H,2,5-6,8-9H2,1H3/t12-/m1/s1
InChIKeyFEVVKOGNERNVOW-GFCCVEGCSA-N
XLogP4.13
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(methoxymethyl)-3-[6-(4,4,4-trifluorobutoxy)-1-benzofuran-3-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(methoxymethyl)-3-[6-(4,4,4-trifluorobutoxy)-1-benzofuran-3-yl]-1,3-oxazolidin-2-one (CID 57298262) is (5R)-5-(methoxymethyl)-3-[6-(4,4,4-trifluorobutoxy)-1-benzofuran-3-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(methoxymethyl)-3-[6-(4,4,4-trifluorobutoxy)-1-benzofuran-3-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(methoxymethyl)-3-[6-(4,4,4-trifluorobutoxy)-1-benzofuran-3-yl]-1,3-oxazolidin-2-one is COC[C@H]1CN(c2coc3cc(OCCCC(F)(F)F)ccc23)C(=O)O1.
What is the InChIKey of (5R)-5-(methoxymethyl)-3-[6-(4,4,4-trifluorobutoxy)-1-benzofuran-3-yl]-1,3-oxazolidin-2-one?
The InChIKey is FEVVKOGNERNVOW-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18F3NO5/c1-23-9-12-8-21(16(22)26-12)14-10-25-15-7-11(3-4-13(14)15)24-6-2-5-17(18,19)20/h3-4,7,10,12H,2,5-6,8-9H2,1H3/t12-/m1/s1.
What are the key properties of (5R)-5-(methoxymethyl)-3-[6-(4,4,4-trifluorobutoxy)-1-benzofuran-3-yl]-1,3-oxazolidin-2-one?
(5R)-5-(methoxymethyl)-3-[6-(4,4,4-trifluorobutoxy)-1-benzofuran-3-yl]-1,3-oxazolidin-2-one has a molecular weight of 373.33 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(methoxymethyl)-3-[6-(4,4,4-trifluorobutoxy)-1-benzofuran-3-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 57298262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).