5-[6-(benzimidazol-1-yl)-3-pyridinyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

C16H14N6O — CID 154751778

IUPAC5-[6-(benzimidazol-1-yl)-3-pyridinyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(-c2ccc(-n3cnc4ccccc43)nc2)n1
InChIInChI=1S/C16H14N6O/c1-21(2)16-19-15(23-20-16)11-7-8-14(17-9-11)22-10-18-12-5-3-4-6-13(12)22/h3-10H,1-2H3
InChIKeyHIVWJAWZHPQLEI-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.54
Rot. Bonds3

About 5-[6-(benzimidazol-1-yl)-3-pyridinyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

5-[6-(benzimidazol-1-yl)-3-pyridinyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 154751778) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is 5-[6-(benzimidazol-1-yl)-3-pyridinyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[6-(benzimidazol-1-yl)-3-pyridinyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID154751778
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name5-[6-(benzimidazol-1-yl)-3-pyridinyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(-c2ccc(-n3cnc4ccccc43)nc2)n1
InChIInChI=1S/C16H14N6O/c1-21(2)16-19-15(23-20-16)11-7-8-14(17-9-11)22-10-18-12-5-3-4-6-13(12)22/h3-10H,1-2H3
InChIKeyHIVWJAWZHPQLEI-UHFFFAOYSA-N
XLogP2.54
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[6-(benzimidazol-1-yl)-3-pyridinyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine 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-[6-(benzimidazol-1-yl)-3-pyridinyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[6-(benzimidazol-1-yl)-3-pyridinyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (CID 154751778) is 5-[6-(benzimidazol-1-yl)-3-pyridinyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[6-(benzimidazol-1-yl)-3-pyridinyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[6-(benzimidazol-1-yl)-3-pyridinyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is CN(C)c1noc(-c2ccc(-n3cnc4ccccc43)nc2)n1.
What is the InChIKey of 5-[6-(benzimidazol-1-yl)-3-pyridinyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is HIVWJAWZHPQLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O/c1-21(2)16-19-15(23-20-16)11-7-8-14(17-9-11)22-10-18-12-5-3-4-6-13(12)22/h3-10H,1-2H3.
What are the key properties of 5-[6-(benzimidazol-1-yl)-3-pyridinyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
5-[6-(benzimidazol-1-yl)-3-pyridinyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 306.33 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(benzimidazol-1-yl)-3-pyridinyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 154751778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).