4-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-1,3-oxazole

C17H13N7O — CID 118525781

IUPAC4-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-1,3-oxazole
SMILESCc1ncc(C)n2nc(-c3ccc4nc(-c5cocn5)[nH]c4c3)nc12
InChIInChI=1S/C17H13N7O/c1-9-6-18-10(2)17-22-15(23-24(9)17)11-3-4-12-13(5-11)21-16(20-12)14-7-25-8-19-14/h3-8H,1-2H3,(H,20,21)
InChIKeyLAOQNTYYSNQKNC-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.94
Rot. Bonds2

About 4-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-1,3-oxazole

4-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-1,3-oxazole (PubChem CID 118525781) has the molecular formula C17H13N7O and a molecular weight of 331.34 g/mol. Its IUPAC name is 4-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name4-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-1,3-oxazole
PubChem CID118525781
Molecular FormulaC17H13N7O
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Name4-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-1,3-oxazole
SMILESCc1ncc(C)n2nc(-c3ccc4nc(-c5cocn5)[nH]c4c3)nc12
InChIInChI=1S/C17H13N7O/c1-9-6-18-10(2)17-22-15(23-24(9)17)11-3-4-12-13(5-11)21-16(20-12)14-7-25-8-19-14/h3-8H,1-2H3,(H,20,21)
InChIKeyLAOQNTYYSNQKNC-UHFFFAOYSA-N
XLogP2.94
TPSA97.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-1,3-oxazole?
The IUPAC name of 4-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-1,3-oxazole (CID 118525781) is 4-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-1,3-oxazole.
What is the SMILES notation for 4-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-1,3-oxazole?
The canonical SMILES for 4-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-1,3-oxazole is Cc1ncc(C)n2nc(-c3ccc4nc(-c5cocn5)[nH]c4c3)nc12.
What is the InChIKey of 4-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-1,3-oxazole?
The InChIKey is LAOQNTYYSNQKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N7O/c1-9-6-18-10(2)17-22-15(23-24(9)17)11-3-4-12-13(5-11)21-16(20-12)14-7-25-8-19-14/h3-8H,1-2H3,(H,20,21).
What are the key properties of 4-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-1,3-oxazole?
4-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-1,3-oxazole has a molecular weight of 331.34 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-1,3-oxazole is sourced from PubChem (CID 118525781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).