[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate

C18H13NO4S — CID 30608530

IUPAC[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate
SMILESO=C(Cc1cccs1)OCc1cc(-c2cc3ccccc3o2)on1
InChIInChI=1S/C18H13NO4S/c20-18(10-14-5-3-7-24-14)21-11-13-9-17(23-19-13)16-8-12-4-1-2-6-15(12)22-16/h1-9H,10-11H2
InChIKeyLLJDNYPFLSGPDG-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.44
Rot. Bonds5

About [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate

[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate (PubChem CID 30608530) has the molecular formula C18H13NO4S and a molecular weight of 339.37 g/mol. Its IUPAC name is [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate.

Molecular Properties

Compound Name[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate
PubChem CID30608530
Molecular FormulaC18H13NO4S
Molecular Weight339.37 g/mol
Exact Mass339.06
IUPAC Name[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate
SMILESO=C(Cc1cccs1)OCc1cc(-c2cc3ccccc3o2)on1
InChIInChI=1S/C18H13NO4S/c20-18(10-14-5-3-7-24-14)21-11-13-9-17(23-19-13)16-8-12-4-1-2-6-15(12)22-16/h1-9H,10-11H2
InChIKeyLLJDNYPFLSGPDG-UHFFFAOYSA-N
XLogP4.44
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate?
The IUPAC name of [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate (CID 30608530) is [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate.
What is the SMILES notation for [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate?
The canonical SMILES for [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate is O=C(Cc1cccs1)OCc1cc(-c2cc3ccccc3o2)on1.
What is the InChIKey of [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate?
The InChIKey is LLJDNYPFLSGPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO4S/c20-18(10-14-5-3-7-24-14)21-11-13-9-17(23-19-13)16-8-12-4-1-2-6-15(12)22-16/h1-9H,10-11H2.
What are the key properties of [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate?
[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate has a molecular weight of 339.37 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate is sourced from PubChem (CID 30608530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).