5-ethoxy-2-(5-methyl-1-benzofuran-2-yl)-1,3-oxazole-4-carboxylic acid

C15H13NO5 — CID 62886755

IUPAC5-ethoxy-2-(5-methyl-1-benzofuran-2-yl)-1,3-oxazole-4-carboxylic acid
SMILESCCOc1oc(-c2cc3cc(C)ccc3o2)nc1C(=O)O
InChIInChI=1S/C15H13NO5/c1-3-19-15-12(14(17)18)16-13(21-15)11-7-9-6-8(2)4-5-10(9)20-11/h4-7H,3H2,1-2H3,(H,17,18)
InChIKeyBMQNYINELRZTMO-UHFFFAOYSA-N
MW287.27 g/mol
LogP3.49
Rot. Bonds4

About 5-ethoxy-2-(5-methyl-1-benzofuran-2-yl)-1,3-oxazole-4-carboxylic acid

5-ethoxy-2-(5-methyl-1-benzofuran-2-yl)-1,3-oxazole-4-carboxylic acid (PubChem CID 62886755) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is 5-ethoxy-2-(5-methyl-1-benzofuran-2-yl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-ethoxy-2-(5-methyl-1-benzofuran-2-yl)-1,3-oxazole-4-carboxylic acid
PubChem CID62886755
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name5-ethoxy-2-(5-methyl-1-benzofuran-2-yl)-1,3-oxazole-4-carboxylic acid
SMILESCCOc1oc(-c2cc3cc(C)ccc3o2)nc1C(=O)O
InChIInChI=1S/C15H13NO5/c1-3-19-15-12(14(17)18)16-13(21-15)11-7-9-6-8(2)4-5-10(9)20-11/h4-7H,3H2,1-2H3,(H,17,18)
InChIKeyBMQNYINELRZTMO-UHFFFAOYSA-N
XLogP3.49
TPSA85.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-(5-methyl-1-benzofuran-2-yl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-ethoxy-2-(5-methyl-1-benzofuran-2-yl)-1,3-oxazole-4-carboxylic acid (CID 62886755) is 5-ethoxy-2-(5-methyl-1-benzofuran-2-yl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-ethoxy-2-(5-methyl-1-benzofuran-2-yl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-ethoxy-2-(5-methyl-1-benzofuran-2-yl)-1,3-oxazole-4-carboxylic acid is CCOc1oc(-c2cc3cc(C)ccc3o2)nc1C(=O)O.
What is the InChIKey of 5-ethoxy-2-(5-methyl-1-benzofuran-2-yl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is BMQNYINELRZTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5/c1-3-19-15-12(14(17)18)16-13(21-15)11-7-9-6-8(2)4-5-10(9)20-11/h4-7H,3H2,1-2H3,(H,17,18).
What are the key properties of 5-ethoxy-2-(5-methyl-1-benzofuran-2-yl)-1,3-oxazole-4-carboxylic acid?
5-ethoxy-2-(5-methyl-1-benzofuran-2-yl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 287.27 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-(5-methyl-1-benzofuran-2-yl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 62886755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).