2-[[3-[(4-phenyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-7-yl]oxy]acetate

C20H14NO5- — CID 18351770

IUPAC2-[[3-[(4-phenyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-7-yl]oxy]acetate
SMILESO=C([O-])COc1cccc2c(Cc3nc(-c4ccccc4)co3)coc12
InChIInChI=1S/C20H15NO5/c22-19(23)12-24-17-8-4-7-15-14(10-26-20(15)17)9-18-21-16(11-25-18)13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H,22,23)/p-1
InChIKeyLZOJEBHFECFTSN-UHFFFAOYSA-M
MW348.33 g/mol
LogP2.81
Rot. Bonds6

About 2-[[3-[(4-phenyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-7-yl]oxy]acetate

2-[[3-[(4-phenyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-7-yl]oxy]acetate (PubChem CID 18351770) has the molecular formula C20H14NO5- and a molecular weight of 348.33 g/mol. Its IUPAC name is 2-[[3-[(4-phenyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-7-yl]oxy]acetate.

Molecular Properties

Compound Name2-[[3-[(4-phenyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-7-yl]oxy]acetate
PubChem CID18351770
Molecular FormulaC20H14NO5-
Molecular Weight348.33 g/mol
Exact Mass348.09
IUPAC Name2-[[3-[(4-phenyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-7-yl]oxy]acetate
SMILESO=C([O-])COc1cccc2c(Cc3nc(-c4ccccc4)co3)coc12
InChIInChI=1S/C20H15NO5/c22-19(23)12-24-17-8-4-7-15-14(10-26-20(15)17)9-18-21-16(11-25-18)13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H,22,23)/p-1
InChIKeyLZOJEBHFECFTSN-UHFFFAOYSA-M
XLogP2.81
TPSA88.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[3-[[4-(2-phenylethyl)-1,3-oxazol-2-yl]methyl]-1-benzofuran-7-yl]oxy]acetic acid
CID 18351667
2-[[3-[[(2-phenoxyacetyl)amino]methyl]-1-benzofuran-7-yl]oxy]acetate
CID 18351719
2-[[3-[2-(3,3-diphenylpropoxy)ethyl]-1-benzofuran-7-yl]oxy]acetate
CID 18351568
2-[[3-(benzenesulfonamidomethyl)-1-benzofuran-7-yl]oxy]acetic acid
CID 15908539
2-[[3-(2-methylsulfanylethyl)-1-benzofuran-7-yl]oxy]acetic acid
CID 18351575
2-[[3-[2-(2,2-diphenylethylsulfonylamino)ethyl]-1-benzofuran-7-yl]oxy]acetic acid
CID 15463516
methyl 2-[[3-[[(2R)-2-phenylbutoxy]methyl]-1-benzofuran-7-yl]oxy]acetate
CID 54559021
2-[[3-[3-(2,2-diphenylethylsulfanyl)propyl]-1-benzofuran-7-yl]oxy]acetic acid
CID 11201693
2-[[3-[2-[phenyl(thiophen-2-yl)methyl]sulfanylethyl]-1-benzofuran-7-yl]oxy]acetic acid
CID 15908561
2-(chloromethyl)-4-phenyl-1,3-oxazole
CID 15133748
2-[[3-(2-benzhydryloxypropoxymethyl)-1-benzofuran-7-yl]oxy]acetic acid
CID 18351725
3-(2-benzyl-1,3-oxazol-4-yl)phenol
CID 115046801

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(4-phenyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-7-yl]oxy]acetate?
The IUPAC name of 2-[[3-[(4-phenyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-7-yl]oxy]acetate (CID 18351770) is 2-[[3-[(4-phenyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-7-yl]oxy]acetate.
What is the SMILES notation for 2-[[3-[(4-phenyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-7-yl]oxy]acetate?
The canonical SMILES for 2-[[3-[(4-phenyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-7-yl]oxy]acetate is O=C([O-])COc1cccc2c(Cc3nc(-c4ccccc4)co3)coc12.
What is the InChIKey of 2-[[3-[(4-phenyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-7-yl]oxy]acetate?
The InChIKey is LZOJEBHFECFTSN-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H15NO5/c22-19(23)12-24-17-8-4-7-15-14(10-26-20(15)17)9-18-21-16(11-25-18)13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H,22,23)/p-1.
What are the key properties of 2-[[3-[(4-phenyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-7-yl]oxy]acetate?
2-[[3-[(4-phenyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-7-yl]oxy]acetate has a molecular weight of 348.33 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(4-phenyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-7-yl]oxy]acetate is sourced from PubChem (CID 18351770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).