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

C24H24F3N5O2S — CID 90716860

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

2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-[4-[(5S)-5-phenyl-2,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 90716860) has the molecular formula C24H24F3N5O2S and a molecular weight of 503.55 g/mol. Its IUPAC name is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-[4-[(5S)-5-phenyl-2,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-[4-[(5S)-5-phenyl-2,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
• PubChem CID: 90716860
• Molecular Formula: C24H24F3N5O2S
• Molecular Weight: 503.55 g/mol
• Exact Mass: 503.16
• IUPAC Name: 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-[4-[(5S)-5-phenyl-2,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
• SMILES: Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C3=C[C@@H](c4ccccc4)ON3)cs2)CC1
• InChI: InChI=1S/C24H24F3N5O2S/c1-15-11-21(24(25,26)27)29-32(15)13-22(33)31-9-7-17(8-10-31)23-28-19(14-35-23)18-12-20(34-30-18)16-5-3-2-4-6-16/h2-6,11-12,14,17,20,30H,7-10,13H2,1H3/t20-/m0/s1
• InChIKey: QBRXWSKJCSDQSU-FQEVSTJZSA-N
• XLogP: 4.69
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.55
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-[4-[(5S)-5-phenyl-2,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone (CID 90716860) is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-[4-[(5S)-5-phenyl-2,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone.

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

The canonical SMILES for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-[4-[(5S)-5-phenyl-2,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone is Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C3=C[C@@H](c4ccccc4)ON3)cs2)CC1.

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

The InChIKey is QBRXWSKJCSDQSU-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H24F3N5O2S/c1-15-11-21(24(25,26)27)29-32(15)13-22(33)31-9-7-17(8-10-31)23-28-19(14-35-23)18-12-20(34-30-18)16-5-3-2-4-6-16/h2-6,11-12,14,17,20,30H,7-10,13H2,1H3/t20-/m0/s1.

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

2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-[4-[(5S)-5-phenyl-2,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 503.55 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-[4-[(5S)-5-phenyl-2,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 90716860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).