[5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-oxazol-4-yl)methanone

C23H22F5N5O2 — CID 147827206

About [5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-oxazol-4-yl)methanone

[5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-oxazol-4-yl)methanone (PubChem CID 147827206) has the molecular formula C23H22F5N5O2 and a molecular weight of 495.45 g/mol. Its IUPAC name is [5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-oxazol-4-yl)methanone.

Molecular Properties

• Compound Name: [5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-oxazol-4-yl)methanone
• PubChem CID: 147827206
• Molecular Formula: C23H22F5N5O2
• Molecular Weight: 495.45 g/mol
• Exact Mass: 495.17
• IUPAC Name: [5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-oxazol-4-yl)methanone
• SMILES: Cc1nc(C(=O)N2CC(F)(F)CC(C)C2CNc2cnc(C(F)(F)F)cn2)c(-c2ccccc2)o1
• InChI: InChI=1S/C23H22F5N5O2/c1-13-8-22(24,25)12-33(16(13)9-30-18-11-29-17(10-31-18)23(26,27)28)21(34)19-20(35-14(2)32-19)15-6-4-3-5-7-15/h3-7,10-11,13,16H,8-9,12H2,1-2H3,(H,30,31)
• InChIKey: HQJNUXZPRQNEKF-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 84.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.45
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-oxazol-4-yl)methanone?

The IUPAC name of [5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-oxazol-4-yl)methanone (CID 147827206) is [5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-oxazol-4-yl)methanone.

What is the SMILES notation for [5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-oxazol-4-yl)methanone?

The canonical SMILES for [5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-oxazol-4-yl)methanone is Cc1nc(C(=O)N2CC(F)(F)CC(C)C2CNc2cnc(C(F)(F)F)cn2)c(-c2ccccc2)o1.

What is the InChIKey of [5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-oxazol-4-yl)methanone?

The InChIKey is HQJNUXZPRQNEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F5N5O2/c1-13-8-22(24,25)12-33(16(13)9-30-18-11-29-17(10-31-18)23(26,27)28)21(34)19-20(35-14(2)32-19)15-6-4-3-5-7-15/h3-7,10-11,13,16H,8-9,12H2,1-2H3,(H,30,31).

What are the key properties of [5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-oxazol-4-yl)methanone?

[5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-oxazol-4-yl)methanone has a molecular weight of 495.45 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 147827206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).