1-[2-[4-[4-[5-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-6-methyl-3-(trifluoromethyl)pyridin-2-one

C26H23ClF4N4O3S — CID 135363536

About 1-[2-[4-[4-[5-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-6-methyl-3-(trifluoromethyl)pyridin-2-one

1-[2-[4-[4-[5-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-6-methyl-3-(trifluoromethyl)pyridin-2-one (PubChem CID 135363536) has the molecular formula C26H23ClF4N4O3S and a molecular weight of 583.01 g/mol. Its IUPAC name is 1-[2-[4-[4-[5-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-6-methyl-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

• Compound Name: 1-[2-[4-[4-[5-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-6-methyl-3-(trifluoromethyl)pyridin-2-one
• PubChem CID: 135363536
• Molecular Formula: C26H23ClF4N4O3S
• Molecular Weight: 583.01 g/mol
• Exact Mass: 582.11
• IUPAC Name: 1-[2-[4-[4-[5-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-6-methyl-3-(trifluoromethyl)pyridin-2-one
• SMILES: Cc1ccc(C(F)(F)F)c(=O)n1CC(=O)N1CCC(c2nc(C3=NOC(c4c(F)cccc4Cl)C3)cs2)CC1
• InChI: InChI=1S/C26H23ClF4N4O3S/c1-14-5-6-16(26(29,30)31)25(37)35(14)12-22(36)34-9-7-15(8-10-34)24-32-20(13-39-24)19-11-21(38-33-19)23-17(27)3-2-4-18(23)28/h2-6,13,15,21H,7-12H2,1H3
• InChIKey: CAPVCKRROQZKPW-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 76.79 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.01
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[4-[5-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-6-methyl-3-(trifluoromethyl)pyridin-2-one?

The IUPAC name of 1-[2-[4-[4-[5-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-6-methyl-3-(trifluoromethyl)pyridin-2-one (CID 135363536) is 1-[2-[4-[4-[5-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-6-methyl-3-(trifluoromethyl)pyridin-2-one.

What is the SMILES notation for 1-[2-[4-[4-[5-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-6-methyl-3-(trifluoromethyl)pyridin-2-one?

The canonical SMILES for 1-[2-[4-[4-[5-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-6-methyl-3-(trifluoromethyl)pyridin-2-one is Cc1ccc(C(F)(F)F)c(=O)n1CC(=O)N1CCC(c2nc(C3=NOC(c4c(F)cccc4Cl)C3)cs2)CC1.

What is the InChIKey of 1-[2-[4-[4-[5-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-6-methyl-3-(trifluoromethyl)pyridin-2-one?

The InChIKey is CAPVCKRROQZKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClF4N4O3S/c1-14-5-6-16(26(29,30)31)25(37)35(14)12-22(36)34-9-7-15(8-10-34)24-32-20(13-39-24)19-11-21(38-33-19)23-17(27)3-2-4-18(23)28/h2-6,13,15,21H,7-12H2,1H3.

What are the key properties of 1-[2-[4-[4-[5-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-6-methyl-3-(trifluoromethyl)pyridin-2-one?

1-[2-[4-[4-[5-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-6-methyl-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 583.01 g/mol, XLogP of 5.70, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-[4-[5-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-6-methyl-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 135363536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).