N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-(2,5-dimethylphenyl)acetamide

C20H17N3O3 — CID 40957915

IUPACN-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(CC(=O)Nc2nnc(-c3cc4ccccc4o3)o2)c1
InChIInChI=1S/C20H17N3O3/c1-12-7-8-13(2)15(9-12)11-18(24)21-20-23-22-19(26-20)17-10-14-5-3-4-6-16(14)25-17/h3-10H,11H2,1-2H3,(H,21,23,24)
InChIKeyKTJIFANXGFDGBC-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.28
Rot. Bonds4

About N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-(2,5-dimethylphenyl)acetamide

N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-(2,5-dimethylphenyl)acetamide (PubChem CID 40957915) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-(2,5-dimethylphenyl)acetamide
PubChem CID40957915
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(CC(=O)Nc2nnc(-c3cc4ccccc4o3)o2)c1
InChIInChI=1S/C20H17N3O3/c1-12-7-8-13(2)15(9-12)11-18(24)21-20-23-22-19(26-20)17-10-14-5-3-4-6-16(14)25-17/h3-10H,11H2,1-2H3,(H,21,23,24)
InChIKeyKTJIFANXGFDGBC-UHFFFAOYSA-N
XLogP4.28
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylacetamide
CID 40957658
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
CID 40957457
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3,4-dimethylbenzamide
CID 40957553
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(2,5-dimethylphenyl)acetamide
CID 43977106
2-(2,5-dimethylphenyl)-N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 16917814
N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 16854678
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide
CID 40957771
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide
CID 40957496
2-(4-methylphenyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 16854851
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-(diethylsulfamoyl)benzamide
CID 40957473
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide
CID 67204744
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide
CID 40957849

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-(2,5-dimethylphenyl)acetamide?
The IUPAC name of N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-(2,5-dimethylphenyl)acetamide (CID 40957915) is N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(CC(=O)Nc2nnc(-c3cc4ccccc4o3)o2)c1.
What is the InChIKey of N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-(2,5-dimethylphenyl)acetamide?
The InChIKey is KTJIFANXGFDGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-12-7-8-13(2)15(9-12)11-18(24)21-20-23-22-19(26-20)17-10-14-5-3-4-6-16(14)25-17/h3-10H,11H2,1-2H3,(H,21,23,24).
What are the key properties of N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-(2,5-dimethylphenyl)acetamide?
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-(2,5-dimethylphenyl)acetamide has a molecular weight of 347.37 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 40957915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).