2-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-[4-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone

C25H26F3N5O2S — CID 66961796

About 2-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-[4-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone

2-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-[4-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 66961796) has the molecular formula C25H26F3N5O2S and a molecular weight of 517.58 g/mol. Its IUPAC name is 2-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-[4-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-[4-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
• PubChem CID: 66961796
• Molecular Formula: C25H26F3N5O2S
• Molecular Weight: 517.58 g/mol
• Exact Mass: 517.18
• IUPAC Name: 2-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-[4-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
• SMILES: CCc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C3=NO[C@@H](c4ccccc4)C3)cs2)CC1
• InChI: InChI=1S/C25H26F3N5O2S/c1-2-18-12-22(25(26,27)28)30-33(18)14-23(34)32-10-8-17(9-11-32)24-29-20(15-36-24)19-13-21(35-31-19)16-6-4-3-5-7-16/h3-7,12,15,17,21H,2,8-11,13-14H2,1H3/t21-/m1/s1
• InChIKey: ZSZAMVYEGDWEDY-OAQYLSRUSA-N
• XLogP: 5.19
• TPSA: 72.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.58
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-[4-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone?

The IUPAC name of 2-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-[4-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone (CID 66961796) is 2-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-[4-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 2-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-[4-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 2-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-[4-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone is CCc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C3=NO[C@@H](c4ccccc4)C3)cs2)CC1.

What is the InChIKey of 2-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-[4-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone?

The InChIKey is ZSZAMVYEGDWEDY-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H26F3N5O2S/c1-2-18-12-22(25(26,27)28)30-33(18)14-23(34)32-10-8-17(9-11-32)24-29-20(15-36-24)19-13-21(35-31-19)16-6-4-3-5-7-16/h3-7,12,15,17,21H,2,8-11,13-14H2,1H3/t21-/m1/s1.

What are the key properties of 2-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-[4-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone?

2-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-[4-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 517.58 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-[4-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 66961796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).