[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-fluorophenoxy)acetate

C20H14FNO5 — CID 30608516

IUPAC[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-fluorophenoxy)acetate
SMILESO=C(COc1ccccc1F)OCc1cc(-c2cc3ccccc3o2)on1
InChIInChI=1S/C20H14FNO5/c21-15-6-2-4-8-17(15)24-12-20(23)25-11-14-10-19(27-22-14)18-9-13-5-1-3-7-16(13)26-18/h1-10H,11-12H2
InChIKeyVGKLIVPFJAFWFK-UHFFFAOYSA-N
MW367.33 g/mol
LogP4.35
Rot. Bonds6

About [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-fluorophenoxy)acetate

[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-fluorophenoxy)acetate (PubChem CID 30608516) has the molecular formula C20H14FNO5 and a molecular weight of 367.33 g/mol. Its IUPAC name is [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-fluorophenoxy)acetate.

Molecular Properties

Compound Name[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-fluorophenoxy)acetate
PubChem CID30608516
Molecular FormulaC20H14FNO5
Molecular Weight367.33 g/mol
Exact Mass367.09
IUPAC Name[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-fluorophenoxy)acetate
SMILESO=C(COc1ccccc1F)OCc1cc(-c2cc3ccccc3o2)on1
InChIInChI=1S/C20H14FNO5/c21-15-6-2-4-8-17(15)24-12-20(23)25-11-14-10-19(27-22-14)18-9-13-5-1-3-7-16(13)26-18/h1-10H,11-12H2
InChIKeyVGKLIVPFJAFWFK-UHFFFAOYSA-N
XLogP4.35
TPSA74.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-fluorophenoxy)acetate 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 [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-fluorophenoxy)acetate?
The IUPAC name of [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-fluorophenoxy)acetate (CID 30608516) is [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-fluorophenoxy)acetate.
What is the SMILES notation for [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-fluorophenoxy)acetate?
The canonical SMILES for [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-fluorophenoxy)acetate is O=C(COc1ccccc1F)OCc1cc(-c2cc3ccccc3o2)on1.
What is the InChIKey of [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-fluorophenoxy)acetate?
The InChIKey is VGKLIVPFJAFWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO5/c21-15-6-2-4-8-17(15)24-12-20(23)25-11-14-10-19(27-22-14)18-9-13-5-1-3-7-16(13)26-18/h1-10H,11-12H2.
What are the key properties of [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-fluorophenoxy)acetate?
[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-fluorophenoxy)acetate has a molecular weight of 367.33 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-fluorophenoxy)acetate is sourced from PubChem (CID 30608516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).