2-[[3-[[4-(2-phenylethyl)-1,3-oxazol-2-yl]methyl]-1-benzofuran-7-yl]oxy]acetic acid

C22H19NO5 — CID 18351667

IUPAC2-[[3-[[4-(2-phenylethyl)-1,3-oxazol-2-yl]methyl]-1-benzofuran-7-yl]oxy]acetic acid
SMILESO=C(O)COc1cccc2c(Cc3nc(CCc4ccccc4)co3)coc12
InChIInChI=1S/C22H19NO5/c24-21(25)14-26-19-8-4-7-18-16(12-28-22(18)19)11-20-23-17(13-27-20)10-9-15-5-2-1-3-6-15/h1-8,12-13H,9-11,14H2,(H,24,25)
InChIKeyTYSAKBBXHYIRJL-UHFFFAOYSA-N
MW377.40 g/mol
LogP4.26
Rot. Bonds8

About 2-[[3-[[4-(2-phenylethyl)-1,3-oxazol-2-yl]methyl]-1-benzofuran-7-yl]oxy]acetic acid

2-[[3-[[4-(2-phenylethyl)-1,3-oxazol-2-yl]methyl]-1-benzofuran-7-yl]oxy]acetic acid (PubChem CID 18351667) has the molecular formula C22H19NO5 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-[[3-[[4-(2-phenylethyl)-1,3-oxazol-2-yl]methyl]-1-benzofuran-7-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[3-[[4-(2-phenylethyl)-1,3-oxazol-2-yl]methyl]-1-benzofuran-7-yl]oxy]acetic acid
PubChem CID18351667
Molecular FormulaC22H19NO5
Molecular Weight377.40 g/mol
Exact Mass377.13
IUPAC Name2-[[3-[[4-(2-phenylethyl)-1,3-oxazol-2-yl]methyl]-1-benzofuran-7-yl]oxy]acetic acid
SMILESO=C(O)COc1cccc2c(Cc3nc(CCc4ccccc4)co3)coc12
InChIInChI=1S/C22H19NO5/c24-21(25)14-26-19-8-4-7-18-16(12-28-22(18)19)11-20-23-17(13-27-20)10-9-15-5-2-1-3-6-15/h1-8,12-13H,9-11,14H2,(H,24,25)
InChIKeyTYSAKBBXHYIRJL-UHFFFAOYSA-N
XLogP4.26
TPSA85.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[4-(2-phenylethyl)-1,3-oxazol-2-yl]methyl]-1-benzofuran-7-yl]oxy]acetic acid?
The IUPAC name of 2-[[3-[[4-(2-phenylethyl)-1,3-oxazol-2-yl]methyl]-1-benzofuran-7-yl]oxy]acetic acid (CID 18351667) is 2-[[3-[[4-(2-phenylethyl)-1,3-oxazol-2-yl]methyl]-1-benzofuran-7-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[3-[[4-(2-phenylethyl)-1,3-oxazol-2-yl]methyl]-1-benzofuran-7-yl]oxy]acetic acid?
The canonical SMILES for 2-[[3-[[4-(2-phenylethyl)-1,3-oxazol-2-yl]methyl]-1-benzofuran-7-yl]oxy]acetic acid is O=C(O)COc1cccc2c(Cc3nc(CCc4ccccc4)co3)coc12.
What is the InChIKey of 2-[[3-[[4-(2-phenylethyl)-1,3-oxazol-2-yl]methyl]-1-benzofuran-7-yl]oxy]acetic acid?
The InChIKey is TYSAKBBXHYIRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO5/c24-21(25)14-26-19-8-4-7-18-16(12-28-22(18)19)11-20-23-17(13-27-20)10-9-15-5-2-1-3-6-15/h1-8,12-13H,9-11,14H2,(H,24,25).
What are the key properties of 2-[[3-[[4-(2-phenylethyl)-1,3-oxazol-2-yl]methyl]-1-benzofuran-7-yl]oxy]acetic acid?
2-[[3-[[4-(2-phenylethyl)-1,3-oxazol-2-yl]methyl]-1-benzofuran-7-yl]oxy]acetic acid has a molecular weight of 377.40 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[4-(2-phenylethyl)-1,3-oxazol-2-yl]methyl]-1-benzofuran-7-yl]oxy]acetic acid is sourced from PubChem (CID 18351667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).