3-[4-(1-benzofuran-7-yl)phenyl]-1,2-oxazole-5-carboxylic acid

C18H11NO4 — CID 167779226

IUPAC3-[4-(1-benzofuran-7-yl)phenyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(-c3cccc4ccoc34)cc2)no1
InChIInChI=1S/C18H11NO4/c20-18(21)16-10-15(19-23-16)12-6-4-11(5-7-12)14-3-1-2-13-8-9-22-17(13)14/h1-10H,(H,20,21)
InChIKeyAKPJRNSCVVMVEA-UHFFFAOYSA-N
MW305.29 g/mol
LogP4.45
Rot. Bonds3

About 3-[4-(1-benzofuran-7-yl)phenyl]-1,2-oxazole-5-carboxylic acid

3-[4-(1-benzofuran-7-yl)phenyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 167779226) has the molecular formula C18H11NO4 and a molecular weight of 305.29 g/mol. Its IUPAC name is 3-[4-(1-benzofuran-7-yl)phenyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[4-(1-benzofuran-7-yl)phenyl]-1,2-oxazole-5-carboxylic acid
PubChem CID167779226
Molecular FormulaC18H11NO4
Molecular Weight305.29 g/mol
Exact Mass305.07
IUPAC Name3-[4-(1-benzofuran-7-yl)phenyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(-c3cccc4ccoc34)cc2)no1
InChIInChI=1S/C18H11NO4/c20-18(21)16-10-15(19-23-16)12-6-4-11(5-7-12)14-3-1-2-13-8-9-22-17(13)14/h1-10H,(H,20,21)
InChIKeyAKPJRNSCVVMVEA-UHFFFAOYSA-N
XLogP4.45
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-benzofuran-7-yl)phenyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[4-(1-benzofuran-7-yl)phenyl]-1,2-oxazole-5-carboxylic acid (CID 167779226) is 3-[4-(1-benzofuran-7-yl)phenyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[4-(1-benzofuran-7-yl)phenyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[4-(1-benzofuran-7-yl)phenyl]-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(-c2ccc(-c3cccc4ccoc34)cc2)no1.
What is the InChIKey of 3-[4-(1-benzofuran-7-yl)phenyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is AKPJRNSCVVMVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO4/c20-18(21)16-10-15(19-23-16)12-6-4-11(5-7-12)14-3-1-2-13-8-9-22-17(13)14/h1-10H,(H,20,21).
What are the key properties of 3-[4-(1-benzofuran-7-yl)phenyl]-1,2-oxazole-5-carboxylic acid?
3-[4-(1-benzofuran-7-yl)phenyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 305.29 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-benzofuran-7-yl)phenyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 167779226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).