5-(2,3-dimethyl-1-benzofuran-5-yl)-1,2-oxazole-3-carboxylic acid

C14H11NO4 — CID 115003560

IUPAC5-(2,3-dimethyl-1-benzofuran-5-yl)-1,2-oxazole-3-carboxylic acid
SMILESCc1oc2ccc(-c3cc(C(=O)O)no3)cc2c1C
InChIInChI=1S/C14H11NO4/c1-7-8(2)18-12-4-3-9(5-10(7)12)13-6-11(14(16)17)15-19-13/h3-6H,1-2H3,(H,16,17)
InChIKeyNWLFIGBWFRTKRA-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.40
Rot. Bonds2

About 5-(2,3-dimethyl-1-benzofuran-5-yl)-1,2-oxazole-3-carboxylic acid

5-(2,3-dimethyl-1-benzofuran-5-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 115003560) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is 5-(2,3-dimethyl-1-benzofuran-5-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,3-dimethyl-1-benzofuran-5-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID115003560
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name5-(2,3-dimethyl-1-benzofuran-5-yl)-1,2-oxazole-3-carboxylic acid
SMILESCc1oc2ccc(-c3cc(C(=O)O)no3)cc2c1C
InChIInChI=1S/C14H11NO4/c1-7-8(2)18-12-4-3-9(5-10(7)12)13-6-11(14(16)17)15-19-13/h3-6H,1-2H3,(H,16,17)
InChIKeyNWLFIGBWFRTKRA-UHFFFAOYSA-N
XLogP3.40
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 82500452
5-(3-methyl-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid
CID 82387136
5-(1,2-benzoxazol-5-yl)-1,2-oxazole-3-carboxylic acid
CID 117331927
5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1133644
5-(1-benzofuran-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117329817
5-(3-hydroxy-4-iodophenyl)-1,2-oxazole-3-carboxylic acid
CID 155392679
5-(3-chloro-2H-indazol-5-yl)-1,2-oxazole-3-carboxylic acid
CID 117413924
5-(1-methylindazol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117359203
5-(3,4-dihydro-1H-isochromen-7-yl)-1,2-oxazole-3-carboxylic acid
CID 117364332
5-(3-carboxy-5-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117416540
5-[4-(4-methylpyrazol-1-yl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117426069
5-[3-hydroxy-4-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117375249

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethyl-1-benzofuran-5-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(2,3-dimethyl-1-benzofuran-5-yl)-1,2-oxazole-3-carboxylic acid (CID 115003560) is 5-(2,3-dimethyl-1-benzofuran-5-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(2,3-dimethyl-1-benzofuran-5-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(2,3-dimethyl-1-benzofuran-5-yl)-1,2-oxazole-3-carboxylic acid is Cc1oc2ccc(-c3cc(C(=O)O)no3)cc2c1C.
What is the InChIKey of 5-(2,3-dimethyl-1-benzofuran-5-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is NWLFIGBWFRTKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c1-7-8(2)18-12-4-3-9(5-10(7)12)13-6-11(14(16)17)15-19-13/h3-6H,1-2H3,(H,16,17).
What are the key properties of 5-(2,3-dimethyl-1-benzofuran-5-yl)-1,2-oxazole-3-carboxylic acid?
5-(2,3-dimethyl-1-benzofuran-5-yl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 257.25 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethyl-1-benzofuran-5-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 115003560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).