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

C17H18F3NO6 — CID 54304648

IUPAC(5R)-5-(methoxymethyl)-3-[6-[(3R)-4,4,4-trifluoro-3-hydroxybutoxy]-1-benzofuran-3-yl]-1,3-oxazolidin-2-one
SMILESCOC[C@H]1CN(c2coc3cc(OCC[C@@H](O)C(F)(F)F)ccc23)C(=O)O1
InChIInChI=1S/C17H18F3NO6/c1-24-8-11-7-21(16(23)27-11)13-9-26-14-6-10(2-3-12(13)14)25-5-4-15(22)17(18,19)20/h2-3,6,9,11,15,22H,4-5,7-8H2,1H3/t11-,15-/m1/s1
InChIKeySGQRONCQYILDHF-IAQYHMDHSA-N
MW389.33 g/mol
LogP3.10
Rot. Bonds7

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

(5R)-5-(methoxymethyl)-3-[6-[(3R)-4,4,4-trifluoro-3-hydroxybutoxy]-1-benzofuran-3-yl]-1,3-oxazolidin-2-one (PubChem CID 54304648) has the molecular formula C17H18F3NO6 and a molecular weight of 389.33 g/mol. Its IUPAC name is (5R)-5-(methoxymethyl)-3-[6-[(3R)-4,4,4-trifluoro-3-hydroxybutoxy]-1-benzofuran-3-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(methoxymethyl)-3-[6-[(3R)-4,4,4-trifluoro-3-hydroxybutoxy]-1-benzofuran-3-yl]-1,3-oxazolidin-2-one
PubChem CID54304648
Molecular FormulaC17H18F3NO6
Molecular Weight389.33 g/mol
Exact Mass389.11
IUPAC Name(5R)-5-(methoxymethyl)-3-[6-[(3R)-4,4,4-trifluoro-3-hydroxybutoxy]-1-benzofuran-3-yl]-1,3-oxazolidin-2-one
SMILESCOC[C@H]1CN(c2coc3cc(OCC[C@@H](O)C(F)(F)F)ccc23)C(=O)O1
InChIInChI=1S/C17H18F3NO6/c1-24-8-11-7-21(16(23)27-11)13-9-26-14-6-10(2-3-12(13)14)25-5-4-15(22)17(18,19)20/h2-3,6,9,11,15,22H,4-5,7-8H2,1H3/t11-,15-/m1/s1
InChIKeySGQRONCQYILDHF-IAQYHMDHSA-N
XLogP3.10
TPSA81.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5R)-5-(methoxymethyl)-3-[6-[(3R)-4,4,4-trifluoro-3-hydroxybutoxy]-1-benzofuran-3-yl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(methoxymethyl)-3-[6-[(3R)-4,4,4-trifluoro-3-hydroxybutoxy]-1-benzofuran-3-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(methoxymethyl)-3-[6-[(3R)-4,4,4-trifluoro-3-hydroxybutoxy]-1-benzofuran-3-yl]-1,3-oxazolidin-2-one (CID 54304648) is (5R)-5-(methoxymethyl)-3-[6-[(3R)-4,4,4-trifluoro-3-hydroxybutoxy]-1-benzofuran-3-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(methoxymethyl)-3-[6-[(3R)-4,4,4-trifluoro-3-hydroxybutoxy]-1-benzofuran-3-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(methoxymethyl)-3-[6-[(3R)-4,4,4-trifluoro-3-hydroxybutoxy]-1-benzofuran-3-yl]-1,3-oxazolidin-2-one is COC[C@H]1CN(c2coc3cc(OCC[C@@H](O)C(F)(F)F)ccc23)C(=O)O1.
What is the InChIKey of (5R)-5-(methoxymethyl)-3-[6-[(3R)-4,4,4-trifluoro-3-hydroxybutoxy]-1-benzofuran-3-yl]-1,3-oxazolidin-2-one?
The InChIKey is SGQRONCQYILDHF-IAQYHMDHSA-N. The full InChI is InChI=1S/C17H18F3NO6/c1-24-8-11-7-21(16(23)27-11)13-9-26-14-6-10(2-3-12(13)14)25-5-4-15(22)17(18,19)20/h2-3,6,9,11,15,22H,4-5,7-8H2,1H3/t11-,15-/m1/s1.
What are the key properties of (5R)-5-(methoxymethyl)-3-[6-[(3R)-4,4,4-trifluoro-3-hydroxybutoxy]-1-benzofuran-3-yl]-1,3-oxazolidin-2-one?
(5R)-5-(methoxymethyl)-3-[6-[(3R)-4,4,4-trifluoro-3-hydroxybutoxy]-1-benzofuran-3-yl]-1,3-oxazolidin-2-one has a molecular weight of 389.33 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(methoxymethyl)-3-[6-[(3R)-4,4,4-trifluoro-3-hydroxybutoxy]-1-benzofuran-3-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 54304648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).