1-[4-[4-[5-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethanone

C24H22Cl2F3N5O3S — CID 151453395

About 1-[4-[4-[5-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethanone

1-[4-[4-[5-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethanone (PubChem CID 151453395) has the molecular formula C24H22Cl2F3N5O3S and a molecular weight of 588.44 g/mol. Its IUPAC name is 1-[4-[4-[5-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethanone.

Molecular Properties

• Compound Name: 1-[4-[4-[5-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethanone
• PubChem CID: 151453395
• Molecular Formula: C24H22Cl2F3N5O3S
• Molecular Weight: 588.44 g/mol
• Exact Mass: 587.08
• IUPAC Name: 1-[4-[4-[5-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethanone
• SMILES: Cn1nc(OCC(=O)N2CCC(c3nc(C4=NOC(c5c(Cl)cccc5Cl)C4)cs3)CC2)cc1C(F)(F)F
• InChI: InChI=1S/C24H22Cl2F3N5O3S/c1-33-19(24(27,28)29)10-20(31-33)36-11-21(35)34-7-5-13(6-8-34)23-30-17(12-38-23)16-9-18(37-32-16)22-14(25)3-2-4-15(22)26/h2-4,10,12-13,18H,5-9,11H2,1H3
• InChIKey: PGYLHPLXVLBZGB-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 81.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.44
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[5-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethanone?

The IUPAC name of 1-[4-[4-[5-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethanone (CID 151453395) is 1-[4-[4-[5-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethanone.

What is the SMILES notation for 1-[4-[4-[5-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethanone?

The canonical SMILES for 1-[4-[4-[5-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethanone is Cn1nc(OCC(=O)N2CCC(c3nc(C4=NOC(c5c(Cl)cccc5Cl)C4)cs3)CC2)cc1C(F)(F)F.

What is the InChIKey of 1-[4-[4-[5-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethanone?

The InChIKey is PGYLHPLXVLBZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2F3N5O3S/c1-33-19(24(27,28)29)10-20(31-33)36-11-21(35)34-7-5-13(6-8-34)23-30-17(12-38-23)16-9-18(37-32-16)22-14(25)3-2-4-15(22)26/h2-4,10,12-13,18H,5-9,11H2,1H3.

What are the key properties of 1-[4-[4-[5-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethanone?

1-[4-[4-[5-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethanone has a molecular weight of 588.44 g/mol, XLogP of 5.85, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-[5-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethanone is sourced from PubChem (CID 151453395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).