4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide

C21H18N6O2 — CID 59471630

IUPAC4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4)o3)n2)cc1
InChIInChI=1S/C21H18N6O2/c1-27(2)21(28)15-10-8-13(9-11-15)16-12-23-18(22)17(24-16)20-26-25-19(29-20)14-6-4-3-5-7-14/h3-12H,1-2H3,(H2,22,23)
InChIKeyFLMMASOPKNKVMG-UHFFFAOYSA-N
MW386.42 g/mol
LogP3.14
Rot. Bonds4

About 4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide

4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide (PubChem CID 59471630) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is 4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide
PubChem CID59471630
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC Name4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4)o3)n2)cc1
InChIInChI=1S/C21H18N6O2/c1-27(2)21(28)15-10-8-13(9-11-15)16-12-23-18(22)17(24-16)20-26-25-19(29-20)14-6-4-3-5-7-14/h3-12H,1-2H3,(H2,22,23)
InChIKeyFLMMASOPKNKVMG-UHFFFAOYSA-N
XLogP3.14
TPSA111.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide (CID 59471630) is 4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4)o3)n2)cc1.
What is the InChIKey of 4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide?
The InChIKey is FLMMASOPKNKVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c1-27(2)21(28)15-10-8-13(9-11-15)16-12-23-18(22)17(24-16)20-26-25-19(29-20)14-6-4-3-5-7-14/h3-12H,1-2H3,(H2,22,23).
What are the key properties of 4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide?
4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide has a molecular weight of 386.42 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 59471630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).