5-(3-methyl-1-benzofuran-2-yl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide

C20H17N3O3 — CID 53081224

IUPAC5-(3-methyl-1-benzofuran-2-yl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCc1c(-c2nnc(C(=O)NCCc3ccccc3)o2)oc2ccccc12
InChIInChI=1S/C20H17N3O3/c1-13-15-9-5-6-10-16(15)25-17(13)19-22-23-20(26-19)18(24)21-12-11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,21,24)
InChIKeyBXZIOWSAACQJOJ-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.76
Rot. Bonds5

About 5-(3-methyl-1-benzofuran-2-yl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide

5-(3-methyl-1-benzofuran-2-yl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 53081224) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 5-(3-methyl-1-benzofuran-2-yl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(3-methyl-1-benzofuran-2-yl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID53081224
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name5-(3-methyl-1-benzofuran-2-yl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCc1c(-c2nnc(C(=O)NCCc3ccccc3)o2)oc2ccccc12
InChIInChI=1S/C20H17N3O3/c1-13-15-9-5-6-10-16(15)25-17(13)19-22-23-20(26-19)18(24)21-12-11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,21,24)
InChIKeyBXZIOWSAACQJOJ-UHFFFAOYSA-N
XLogP3.76
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3-methyl-1-benzofuran-2-yl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-1-benzofuran-2-yl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(3-methyl-1-benzofuran-2-yl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide (CID 53081224) is 5-(3-methyl-1-benzofuran-2-yl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(3-methyl-1-benzofuran-2-yl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(3-methyl-1-benzofuran-2-yl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide is Cc1c(-c2nnc(C(=O)NCCc3ccccc3)o2)oc2ccccc12.
What is the InChIKey of 5-(3-methyl-1-benzofuran-2-yl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is BXZIOWSAACQJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-13-15-9-5-6-10-16(15)25-17(13)19-22-23-20(26-19)18(24)21-12-11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,21,24).
What are the key properties of 5-(3-methyl-1-benzofuran-2-yl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
5-(3-methyl-1-benzofuran-2-yl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1-benzofuran-2-yl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 53081224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).