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

C17H12N2O4S — CID 7704083

IUPAC[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 1-benzofuran-2-carboxylate
SMILESC[C@H](OC(=O)c1cc2ccccc2o1)c1nnc(-c2cccs2)o1
InChIInChI=1S/C17H12N2O4S/c1-10(15-18-19-16(23-15)14-7-4-8-24-14)21-17(20)13-9-11-5-2-3-6-12(11)22-13/h2-10H,1H3/t10-/m0/s1
InChIKeyXZJYTRIIKJBGAL-JTQLQIEISA-N
MW340.36 g/mol
LogP4.46
Rot. Bonds4

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

[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 1-benzofuran-2-carboxylate (PubChem CID 7704083) has the molecular formula C17H12N2O4S and a molecular weight of 340.36 g/mol. Its IUPAC name is [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 1-benzofuran-2-carboxylate
PubChem CID7704083
Molecular FormulaC17H12N2O4S
Molecular Weight340.36 g/mol
Exact Mass340.05
IUPAC Name[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 1-benzofuran-2-carboxylate
SMILESC[C@H](OC(=O)c1cc2ccccc2o1)c1nnc(-c2cccs2)o1
InChIInChI=1S/C17H12N2O4S/c1-10(15-18-19-16(23-15)14-7-4-8-24-14)21-17(20)13-9-11-5-2-3-6-12(11)22-13/h2-10H,1H3/t10-/m0/s1
InChIKeyXZJYTRIIKJBGAL-JTQLQIEISA-N
XLogP4.46
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 1-benzofuran-2-carboxylate?
The IUPAC name of [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 1-benzofuran-2-carboxylate (CID 7704083) is [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 1-benzofuran-2-carboxylate.
What is the SMILES notation for [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 1-benzofuran-2-carboxylate?
The canonical SMILES for [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 1-benzofuran-2-carboxylate is C[C@H](OC(=O)c1cc2ccccc2o1)c1nnc(-c2cccs2)o1.
What is the InChIKey of [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 1-benzofuran-2-carboxylate?
The InChIKey is XZJYTRIIKJBGAL-JTQLQIEISA-N. The full InChI is InChI=1S/C17H12N2O4S/c1-10(15-18-19-16(23-15)14-7-4-8-24-14)21-17(20)13-9-11-5-2-3-6-12(11)22-13/h2-10H,1H3/t10-/m0/s1.
What are the key properties of [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 1-benzofuran-2-carboxylate?
[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 1-benzofuran-2-carboxylate has a molecular weight of 340.36 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 1-benzofuran-2-carboxylate is sourced from PubChem (CID 7704083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).