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

C13H9NO4 — CID 82373604

IUPAC3-(3-methyl-1-benzofuran-5-yl)-1,2-oxazole-5-carboxylic acid
SMILESCc1coc2ccc(-c3cc(C(=O)O)on3)cc12
InChIInChI=1S/C13H9NO4/c1-7-6-17-11-3-2-8(4-9(7)11)10-5-12(13(15)16)18-14-10/h2-6H,1H3,(H,15,16)
InChIKeyMKIMRKNYYXYFGP-UHFFFAOYSA-N
MW243.22 g/mol
LogP3.09
Rot. Bonds2

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

3-(3-methyl-1-benzofuran-5-yl)-1,2-oxazole-5-carboxylic acid (PubChem CID 82373604) has the molecular formula C13H9NO4 and a molecular weight of 243.22 g/mol. Its IUPAC name is 3-(3-methyl-1-benzofuran-5-yl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-methyl-1-benzofuran-5-yl)-1,2-oxazole-5-carboxylic acid
PubChem CID82373604
Molecular FormulaC13H9NO4
Molecular Weight243.22 g/mol
Exact Mass243.05
IUPAC Name3-(3-methyl-1-benzofuran-5-yl)-1,2-oxazole-5-carboxylic acid
SMILESCc1coc2ccc(-c3cc(C(=O)O)on3)cc12
InChIInChI=1S/C13H9NO4/c1-7-6-17-11-3-2-8(4-9(7)11)10-5-12(13(15)16)18-14-10/h2-6H,1H3,(H,15,16)
InChIKeyMKIMRKNYYXYFGP-UHFFFAOYSA-N
XLogP3.09
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methyl-1H-indol-5-yl)-1,2-oxazole-5-carboxylic acid
CID 82373607
3-(3-methyl-1,2-benzoxazol-6-yl)-1,2-oxazole-5-carboxylic acid
CID 117361899
3-(3-methyl-4-methylsulfanylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117375835
3-(3-methoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117337507
3-(3,4-diethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117364843
3-(3,4-difluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 29078560
3-(3-bromo-1H-indol-5-yl)-1,2-oxazole-5-carboxylic acid
CID 117492038
3-(3-chloro-2H-indazol-5-yl)-1,2-oxazole-5-carboxylic acid
CID 117413920
3-(3-bromo-4-hydroxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 136966298
3-(3,4-difluoro-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117349979
3-[4-(1,1-difluoroethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117385137
3-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)-1,2-oxazole-5-carboxylic acid
CID 117433603

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1-benzofuran-5-yl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(3-methyl-1-benzofuran-5-yl)-1,2-oxazole-5-carboxylic acid (CID 82373604) is 3-(3-methyl-1-benzofuran-5-yl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-methyl-1-benzofuran-5-yl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(3-methyl-1-benzofuran-5-yl)-1,2-oxazole-5-carboxylic acid is Cc1coc2ccc(-c3cc(C(=O)O)on3)cc12.
What is the InChIKey of 3-(3-methyl-1-benzofuran-5-yl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is MKIMRKNYYXYFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO4/c1-7-6-17-11-3-2-8(4-9(7)11)10-5-12(13(15)16)18-14-10/h2-6H,1H3,(H,15,16).
What are the key properties of 3-(3-methyl-1-benzofuran-5-yl)-1,2-oxazole-5-carboxylic acid?
3-(3-methyl-1-benzofuran-5-yl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 243.22 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1-benzofuran-5-yl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 82373604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).