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

C22H18F2N6O2 — CID 59471612

IUPAC4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(difluoromethyl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4)o3)n2)c(C(F)F)c1
InChIInChI=1S/C22H18F2N6O2/c1-30(2)22(31)13-8-9-14(15(10-13)18(23)24)16-11-26-19(25)17(27-16)21-29-28-20(32-21)12-6-4-3-5-7-12/h3-11,18H,1-2H3,(H2,25,26)
InChIKeyDFWSBYFYTWXHHJ-UHFFFAOYSA-N
MW436.42 g/mol
LogP4.08
Rot. Bonds5

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

4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(difluoromethyl)-N,N-dimethylbenzamide (PubChem CID 59471612) has the molecular formula C22H18F2N6O2 and a molecular weight of 436.42 g/mol. Its IUPAC name is 4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(difluoromethyl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(difluoromethyl)-N,N-dimethylbenzamide
PubChem CID59471612
Molecular FormulaC22H18F2N6O2
Molecular Weight436.42 g/mol
Exact Mass436.15
IUPAC Name4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(difluoromethyl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4)o3)n2)c(C(F)F)c1
InChIInChI=1S/C22H18F2N6O2/c1-30(2)22(31)13-8-9-14(15(10-13)18(23)24)16-11-26-19(25)17(27-16)21-29-28-20(32-21)12-6-4-3-5-7-12/h3-11,18H,1-2H3,(H2,25,26)
InChIKeyDFWSBYFYTWXHHJ-UHFFFAOYSA-N
XLogP4.08
TPSA111.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 54.08
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]-3-(difluoromethyl)-N,N-dimethylbenzamide?
The IUPAC name of 4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(difluoromethyl)-N,N-dimethylbenzamide (CID 59471612) is 4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(difluoromethyl)-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(difluoromethyl)-N,N-dimethylbenzamide?
The canonical SMILES for 4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(difluoromethyl)-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4)o3)n2)c(C(F)F)c1.
What is the InChIKey of 4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(difluoromethyl)-N,N-dimethylbenzamide?
The InChIKey is DFWSBYFYTWXHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N6O2/c1-30(2)22(31)13-8-9-14(15(10-13)18(23)24)16-11-26-19(25)17(27-16)21-29-28-20(32-21)12-6-4-3-5-7-12/h3-11,18H,1-2H3,(H2,25,26).
What are the key properties of 4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(difluoromethyl)-N,N-dimethylbenzamide?
4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(difluoromethyl)-N,N-dimethylbenzamide has a molecular weight of 436.42 g/mol, XLogP of 4.08, 5 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]-3-(difluoromethyl)-N,N-dimethylbenzamide is sourced from PubChem (CID 59471612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).