3-(difluoromethyl)-N,N-dimethyl-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzamide;molecular hydrogen

C23H21F2N5O2 — CID 158481748

About 3-(difluoromethyl)-N,N-dimethyl-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzamide;molecular hydrogen

3-(difluoromethyl)-N,N-dimethyl-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzamide;molecular hydrogen (PubChem CID 158481748) has the molecular formula C23H21F2N5O2 and a molecular weight of 437.45 g/mol. Its IUPAC name is 3-(difluoromethyl)-N,N-dimethyl-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzamide;molecular hydrogen.

Molecular Properties

• Compound Name: 3-(difluoromethyl)-N,N-dimethyl-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzamide;molecular hydrogen
• PubChem CID: 158481748
• Molecular Formula: C23H21F2N5O2
• Molecular Weight: 437.45 g/mol
• Exact Mass: 437.17
• IUPAC Name: 3-(difluoromethyl)-N,N-dimethyl-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzamide;molecular hydrogen
• SMILES: Cc1ncc(-c2ccc(C(=O)N(C)C)cc2C(F)F)nc1-c1nnc(-c2ccccc2)o1.[H][H]
• InChI: InChI=1S/C23H19F2N5O2.H2/c1-13-19(22-29-28-21(32-22)14-7-5-4-6-8-14)27-18(12-26-13)16-10-9-15(23(31)30(2)3)11-17(16)20(24)25;/h4-12,20H,1-3H3;1H
• InChIKey: HHPGILWXFFNHHZ-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 85.01 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.45
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N,N-dimethyl-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzamide;molecular hydrogen?

The IUPAC name of 3-(difluoromethyl)-N,N-dimethyl-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzamide;molecular hydrogen (CID 158481748) is 3-(difluoromethyl)-N,N-dimethyl-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzamide;molecular hydrogen.

What is the SMILES notation for 3-(difluoromethyl)-N,N-dimethyl-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzamide;molecular hydrogen?

The canonical SMILES for 3-(difluoromethyl)-N,N-dimethyl-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzamide;molecular hydrogen is Cc1ncc(-c2ccc(C(=O)N(C)C)cc2C(F)F)nc1-c1nnc(-c2ccccc2)o1.[H][H].

What is the InChIKey of 3-(difluoromethyl)-N,N-dimethyl-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzamide;molecular hydrogen?

The InChIKey is HHPGILWXFFNHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N5O2.H2/c1-13-19(22-29-28-21(32-22)14-7-5-4-6-8-14)27-18(12-26-13)16-10-9-15(23(31)30(2)3)11-17(16)20(24)25;/h4-12,20H,1-3H3;1H.

What are the key properties of 3-(difluoromethyl)-N,N-dimethyl-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzamide;molecular hydrogen?

3-(difluoromethyl)-N,N-dimethyl-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzamide;molecular hydrogen has a molecular weight of 437.45 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(difluoromethyl)-N,N-dimethyl-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzamide;molecular hydrogen is sourced from PubChem (CID 158481748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).