2-[4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]-N,N-diethylacetamide

C17H18N8O2 — CID 56905612

IUPAC2-[4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1cc(-c2nc(-c3ccc4nc[nH]c4c3)no2)nn1
InChIInChI=1S/C17H18N8O2/c1-3-24(4-2)15(26)9-25-8-14(21-23-25)17-20-16(22-27-17)11-5-6-12-13(7-11)19-10-18-12/h5-8,10H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyTYEOUTIZPHBOKK-UHFFFAOYSA-N
MW366.39 g/mol
LogP1.74
Rot. Bonds6

About 2-[4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]-N,N-diethylacetamide

2-[4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]-N,N-diethylacetamide (PubChem CID 56905612) has the molecular formula C17H18N8O2 and a molecular weight of 366.39 g/mol. Its IUPAC name is 2-[4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]-N,N-diethylacetamide
PubChem CID56905612
Molecular FormulaC17H18N8O2
Molecular Weight366.39 g/mol
Exact Mass366.16
IUPAC Name2-[4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1cc(-c2nc(-c3ccc4nc[nH]c4c3)no2)nn1
InChIInChI=1S/C17H18N8O2/c1-3-24(4-2)15(26)9-25-8-14(21-23-25)17-20-16(22-27-17)11-5-6-12-13(7-11)19-10-18-12/h5-8,10H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyTYEOUTIZPHBOKK-UHFFFAOYSA-N
XLogP1.74
TPSA118.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]-N,N-diethylacetamide (CID 56905612) is 2-[4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)Cn1cc(-c2nc(-c3ccc4nc[nH]c4c3)no2)nn1.
What is the InChIKey of 2-[4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]-N,N-diethylacetamide?
The InChIKey is TYEOUTIZPHBOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8O2/c1-3-24(4-2)15(26)9-25-8-14(21-23-25)17-20-16(22-27-17)11-5-6-12-13(7-11)19-10-18-12/h5-8,10H,3-4,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]-N,N-diethylacetamide?
2-[4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]-N,N-diethylacetamide has a molecular weight of 366.39 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 56905612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).