ethyl 3-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]-1-benzofuran-2-carboxylate

C18H14N2O5S — CID 34773390

About ethyl 3-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]-1-benzofuran-2-carboxylate

ethyl 3-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]-1-benzofuran-2-carboxylate (PubChem CID 34773390) has the molecular formula C18H14N2O5S and a molecular weight of 370.39 g/mol. Its IUPAC name is ethyl 3-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]-1-benzofuran-2-carboxylate.

Molecular Properties

• Compound Name: ethyl 3-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]-1-benzofuran-2-carboxylate
• PubChem CID: 34773390
• Molecular Formula: C18H14N2O5S
• Molecular Weight: 370.39 g/mol
• Exact Mass: 370.06
• IUPAC Name: ethyl 3-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]-1-benzofuran-2-carboxylate
• SMILES: CCOC(=O)c1oc2ccccc2c1Cn1nc(-c2cccs2)oc1=O
• InChI: InChI=1S/C18H14N2O5S/c1-2-23-17(21)15-12(11-6-3-4-7-13(11)24-15)10-20-18(22)25-16(19-20)14-8-5-9-26-14/h3-9H,2,10H2,1H3
• InChIKey: CPEGHKBUPOARRK-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 87.47 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.39
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]-1-benzofuran-2-carboxylate?

The IUPAC name of ethyl 3-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]-1-benzofuran-2-carboxylate (CID 34773390) is ethyl 3-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]-1-benzofuran-2-carboxylate.

What is the SMILES notation for ethyl 3-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]-1-benzofuran-2-carboxylate?

The canonical SMILES for ethyl 3-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]-1-benzofuran-2-carboxylate is CCOC(=O)c1oc2ccccc2c1Cn1nc(-c2cccs2)oc1=O.

What is the InChIKey of ethyl 3-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]-1-benzofuran-2-carboxylate?

The InChIKey is CPEGHKBUPOARRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O5S/c1-2-23-17(21)15-12(11-6-3-4-7-13(11)24-15)10-20-18(22)25-16(19-20)14-8-5-9-26-14/h3-9H,2,10H2,1H3.

What are the key properties of ethyl 3-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]-1-benzofuran-2-carboxylate?

ethyl 3-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]-1-benzofuran-2-carboxylate has a molecular weight of 370.39 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 3-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]-1-benzofuran-2-carboxylate is sourced from PubChem (CID 34773390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).