ethyl 5-(1-benzofuran-2-yl)-1,2-oxazole-3-carboxylate

C14H11NO4 — CID 154791615

IUPACethyl 5-(1-benzofuran-2-yl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cc3ccccc3o2)on1
InChIInChI=1S/C14H11NO4/c1-2-17-14(16)10-8-13(19-15-10)12-7-9-5-3-4-6-11(9)18-12/h3-8H,2H2,1H3
InChIKeyHWISQBWXLZYHEF-UHFFFAOYSA-N
MW257.24 g/mol
LogP3.26
Rot. Bonds3

About ethyl 5-(1-benzofuran-2-yl)-1,2-oxazole-3-carboxylate

ethyl 5-(1-benzofuran-2-yl)-1,2-oxazole-3-carboxylate (PubChem CID 154791615) has the molecular formula C14H11NO4 and a molecular weight of 257.24 g/mol. Its IUPAC name is ethyl 5-(1-benzofuran-2-yl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(1-benzofuran-2-yl)-1,2-oxazole-3-carboxylate
PubChem CID154791615
Molecular FormulaC14H11NO4
Molecular Weight257.24 g/mol
Exact Mass257.07
IUPAC Nameethyl 5-(1-benzofuran-2-yl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cc3ccccc3o2)on1
InChIInChI=1S/C14H11NO4/c1-2-17-14(16)10-8-13(19-15-10)12-7-9-5-3-4-6-11(9)18-12/h3-8H,2H2,1H3
InChIKeyHWISQBWXLZYHEF-UHFFFAOYSA-N
XLogP3.26
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-oxochromene-3-carboxylate
CID 30608554
ethyl 2-[5-(1-benzofuran-2-yl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 66644957
[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl (2R)-2-phenoxypropanoate
CID 30608484
ethyl 2-(1-benzofuran-2-carbonylamino)-1,3-thiazole-4-carboxylate
CID 2308234
ethyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate
CID 13035537
ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate
CID 53439047
ethyl 2-(1-benzofuran-2-ylsulfonylamino)-1,3-thiazole-4-carboxylate
CID 87157744
ethyl 2-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 2467742
ethyl 2-(1-benzofuran-2-carbonylimino)-3,4-dimethyl-1,3-thiazole-5-carboxylate
CID 8718097
ethyl 2-methyl-6-(2-oxochromen-3-yl)pyridine-3-carboxylate
CID 23248660
ethyl 5-(2-phenylethyl)-1,2-oxazole-3-carboxylate
CID 90326174
N-[[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide
CID 30608149

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1-benzofuran-2-yl)-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-(1-benzofuran-2-yl)-1,2-oxazole-3-carboxylate (CID 154791615) is ethyl 5-(1-benzofuran-2-yl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(1-benzofuran-2-yl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-(1-benzofuran-2-yl)-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(-c2cc3ccccc3o2)on1.
What is the InChIKey of ethyl 5-(1-benzofuran-2-yl)-1,2-oxazole-3-carboxylate?
The InChIKey is HWISQBWXLZYHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c1-2-17-14(16)10-8-13(19-15-10)12-7-9-5-3-4-6-11(9)18-12/h3-8H,2H2,1H3.
What are the key properties of ethyl 5-(1-benzofuran-2-yl)-1,2-oxazole-3-carboxylate?
ethyl 5-(1-benzofuran-2-yl)-1,2-oxazole-3-carboxylate has a molecular weight of 257.24 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1-benzofuran-2-yl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 154791615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).