3-(3H-benzimidazol-5-yl)-5-pyridin-2-yl-1,2,4-oxadiazole

C14H9N5O — CID 122180510

IUPAC3-(3H-benzimidazol-5-yl)-5-pyridin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)nc1
InChIInChI=1S/C14H9N5O/c1-2-6-15-11(3-1)14-18-13(19-20-14)9-4-5-10-12(7-9)17-8-16-10/h1-8H,(H,16,17)
InChIKeyBFQXOOUEOZCPLQ-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.67
Rot. Bonds2

About 3-(3H-benzimidazol-5-yl)-5-pyridin-2-yl-1,2,4-oxadiazole

3-(3H-benzimidazol-5-yl)-5-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 122180510) has the molecular formula C14H9N5O and a molecular weight of 263.26 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yl)-5-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3H-benzimidazol-5-yl)-5-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID122180510
Molecular FormulaC14H9N5O
Molecular Weight263.26 g/mol
Exact Mass263.08
IUPAC Name3-(3H-benzimidazol-5-yl)-5-pyridin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)nc1
InChIInChI=1S/C14H9N5O/c1-2-6-15-11(3-1)14-18-13(19-20-14)9-4-5-10-12(7-9)17-8-16-10/h1-8H,(H,16,17)
InChIKeyBFQXOOUEOZCPLQ-UHFFFAOYSA-N
XLogP2.67
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3H-benzimidazol-5-yl)-5-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(3H-benzimidazol-5-yl)-5-pyridin-2-yl-1,2,4-oxadiazole (CID 122180510) is 3-(3H-benzimidazol-5-yl)-5-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3H-benzimidazol-5-yl)-5-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(3H-benzimidazol-5-yl)-5-pyridin-2-yl-1,2,4-oxadiazole is c1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)nc1.
What is the InChIKey of 3-(3H-benzimidazol-5-yl)-5-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is BFQXOOUEOZCPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5O/c1-2-6-15-11(3-1)14-18-13(19-20-14)9-4-5-10-12(7-9)17-8-16-10/h1-8H,(H,16,17).
What are the key properties of 3-(3H-benzimidazol-5-yl)-5-pyridin-2-yl-1,2,4-oxadiazole?
3-(3H-benzimidazol-5-yl)-5-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 263.26 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-benzimidazol-5-yl)-5-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 122180510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).