5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazole-2-carboxamide

C20H19N3O3S — CID 53007246

IUPAC5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCc1ccc2oc(-c3nnc(C(=O)NCCc4sccc4C)o3)c(C)c2c1
InChIInChI=1S/C20H19N3O3S/c1-11-4-5-15-14(10-11)13(3)17(25-15)19-22-23-20(26-19)18(24)21-8-6-16-12(2)7-9-27-16/h4-5,7,9-10H,6,8H2,1-3H3,(H,21,24)
InChIKeySIUPHAJULWYXQG-UHFFFAOYSA-N
MW381.46 g/mol
LogP4.44
Rot. Bonds5

About 5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazole-2-carboxamide

5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 53007246) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID53007246
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCc1ccc2oc(-c3nnc(C(=O)NCCc4sccc4C)o3)c(C)c2c1
InChIInChI=1S/C20H19N3O3S/c1-11-4-5-15-14(10-11)13(3)17(25-15)19-22-23-20(26-19)18(24)21-8-6-16-12(2)7-9-27-16/h4-5,7,9-10H,6,8H2,1-3H3,(H,21,24)
InChIKeySIUPHAJULWYXQG-UHFFFAOYSA-N
XLogP4.44
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazole-2-carboxamide (CID 53007246) is 5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazole-2-carboxamide is Cc1ccc2oc(-c3nnc(C(=O)NCCc4sccc4C)o3)c(C)c2c1.
What is the InChIKey of 5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is SIUPHAJULWYXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-11-4-5-15-14(10-11)13(3)17(25-15)19-22-23-20(26-19)18(24)21-8-6-16-12(2)7-9-27-16/h4-5,7,9-10H,6,8H2,1-3H3,(H,21,24).
What are the key properties of 5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazole-2-carboxamide?
5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 53007246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).