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

C25H20Cl2F4N4O3S — CID 135363046

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

1-[2-[4-[4-[5-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-fluoro-5-(trifluoromethyl)pyridin-2-one (PubChem CID 135363046) has the molecular formula C25H20Cl2F4N4O3S and a molecular weight of 603.43 g/mol. Its IUPAC name is 1-[2-[4-[4-[5-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-fluoro-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

• Compound Name: 1-[2-[4-[4-[5-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-fluoro-5-(trifluoromethyl)pyridin-2-one
• PubChem CID: 135363046
• Molecular Formula: C25H20Cl2F4N4O3S
• Molecular Weight: 603.43 g/mol
• Exact Mass: 602.06
• IUPAC Name: 1-[2-[4-[4-[5-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-fluoro-5-(trifluoromethyl)pyridin-2-one
• SMILES: O=C(Cn1cc(C(F)(F)F)cc(F)c1=O)N1CCC(c2nc(C3=NOC(c4c(Cl)cccc4Cl)C3)cs2)CC1
• InChI: InChI=1S/C25H20Cl2F4N4O3S/c26-15-2-1-3-16(27)22(15)20-9-18(33-38-20)19-12-39-23(32-19)13-4-6-34(7-5-13)21(36)11-35-10-14(25(29,30)31)8-17(28)24(35)37/h1-3,8,10,12-13,20H,4-7,9,11H2
• InChIKey: DQCQYTQTDNPZTC-UHFFFAOYSA-N
• XLogP: 6.04
• 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	603.43
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[2-[4-[4-[5-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-fluoro-5-(trifluoromethyl)pyridin-2-one (CID 135363046) is 1-[2-[4-[4-[5-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-fluoro-5-(trifluoromethyl)pyridin-2-one.

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

The canonical SMILES for 1-[2-[4-[4-[5-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-fluoro-5-(trifluoromethyl)pyridin-2-one is O=C(Cn1cc(C(F)(F)F)cc(F)c1=O)N1CCC(c2nc(C3=NOC(c4c(Cl)cccc4Cl)C3)cs2)CC1.

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

The InChIKey is DQCQYTQTDNPZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2F4N4O3S/c26-15-2-1-3-16(27)22(15)20-9-18(33-38-20)19-12-39-23(32-19)13-4-6-34(7-5-13)21(36)11-35-10-14(25(29,30)31)8-17(28)24(35)37/h1-3,8,10,12-13,20H,4-7,9,11H2.

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

1-[2-[4-[4-[5-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-fluoro-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 603.43 g/mol, XLogP of 6.04, 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-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-fluoro-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 135363046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).