3-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole

C17H11N7O — CID 71931961

IUPAC3-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole
SMILESc1ccc2c(c1)ncn2-c1ccc(-c2noc(-c3ccn[nH]3)n2)cn1
InChIInChI=1S/C17H11N7O/c1-2-4-14-12(3-1)19-10-24(14)15-6-5-11(9-18-15)16-21-17(25-23-16)13-7-8-20-22-13/h1-10H,(H,20,22)
InChIKeyKHWIJIBMTPPKPG-UHFFFAOYSA-N
MW329.32 g/mol
LogP2.86
Rot. Bonds3

About 3-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole

3-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole (PubChem CID 71931961) has the molecular formula C17H11N7O and a molecular weight of 329.32 g/mol. Its IUPAC name is 3-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole
PubChem CID71931961
Molecular FormulaC17H11N7O
Molecular Weight329.32 g/mol
Exact Mass329.10
IUPAC Name3-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole
SMILESc1ccc2c(c1)ncn2-c1ccc(-c2noc(-c3ccn[nH]3)n2)cn1
InChIInChI=1S/C17H11N7O/c1-2-4-14-12(3-1)19-10-24(14)15-6-5-11(9-18-15)16-21-17(25-23-16)13-7-8-20-22-13/h1-10H,(H,20,22)
InChIKeyKHWIJIBMTPPKPG-UHFFFAOYSA-N
XLogP2.86
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole (CID 71931961) is 3-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole is c1ccc2c(c1)ncn2-c1ccc(-c2noc(-c3ccn[nH]3)n2)cn1.
What is the InChIKey of 3-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is KHWIJIBMTPPKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N7O/c1-2-4-14-12(3-1)19-10-24(14)15-6-5-11(9-18-15)16-21-17(25-23-16)13-7-8-20-22-13/h1-10H,(H,20,22).
What are the key properties of 3-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole?
3-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 329.32 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 71931961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).