5-chloro-1-[2-oxo-2-[4-[4-[5-(2,4,6-trichlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethyl]pyridin-2-one

C24H20Cl4N4O3S — CID 135362890

About 5-chloro-1-[2-oxo-2-[4-[4-[5-(2,4,6-trichlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethyl]pyridin-2-one

5-chloro-1-[2-oxo-2-[4-[4-[5-(2,4,6-trichlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethyl]pyridin-2-one (PubChem CID 135362890) has the molecular formula C24H20Cl4N4O3S and a molecular weight of 586.33 g/mol. Its IUPAC name is 5-chloro-1-[2-oxo-2-[4-[4-[5-(2,4,6-trichlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethyl]pyridin-2-one.

Molecular Properties

• Compound Name: 5-chloro-1-[2-oxo-2-[4-[4-[5-(2,4,6-trichlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethyl]pyridin-2-one
• PubChem CID: 135362890
• Molecular Formula: C24H20Cl4N4O3S
• Molecular Weight: 586.33 g/mol
• Exact Mass: 584.00
• IUPAC Name: 5-chloro-1-[2-oxo-2-[4-[4-[5-(2,4,6-trichlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethyl]pyridin-2-one
• SMILES: O=C(Cn1cc(Cl)ccc1=O)N1CCC(c2nc(C3=NOC(c4c(Cl)cc(Cl)cc4Cl)C3)cs2)CC1
• InChI: InChI=1S/C24H20Cl4N4O3S/c25-14-1-2-21(33)32(10-14)11-22(34)31-5-3-13(4-6-31)24-29-19(12-36-24)18-9-20(35-30-18)23-16(27)7-15(26)8-17(23)28/h1-2,7-8,10,12-13,20H,3-6,9,11H2
• InChIKey: VLZCQMMVTVHRAM-UHFFFAOYSA-N
• XLogP: 6.19
• TPSA: 76.79 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.33
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[2-oxo-2-[4-[4-[5-(2,4,6-trichlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethyl]pyridin-2-one?

The IUPAC name of 5-chloro-1-[2-oxo-2-[4-[4-[5-(2,4,6-trichlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethyl]pyridin-2-one (CID 135362890) is 5-chloro-1-[2-oxo-2-[4-[4-[5-(2,4,6-trichlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethyl]pyridin-2-one.

What is the SMILES notation for 5-chloro-1-[2-oxo-2-[4-[4-[5-(2,4,6-trichlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethyl]pyridin-2-one?

The canonical SMILES for 5-chloro-1-[2-oxo-2-[4-[4-[5-(2,4,6-trichlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethyl]pyridin-2-one is O=C(Cn1cc(Cl)ccc1=O)N1CCC(c2nc(C3=NOC(c4c(Cl)cc(Cl)cc4Cl)C3)cs2)CC1.

What is the InChIKey of 5-chloro-1-[2-oxo-2-[4-[4-[5-(2,4,6-trichlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethyl]pyridin-2-one?

The InChIKey is VLZCQMMVTVHRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl4N4O3S/c25-14-1-2-21(33)32(10-14)11-22(34)31-5-3-13(4-6-31)24-29-19(12-36-24)18-9-20(35-30-18)23-16(27)7-15(26)8-17(23)28/h1-2,7-8,10,12-13,20H,3-6,9,11H2.

What are the key properties of 5-chloro-1-[2-oxo-2-[4-[4-[5-(2,4,6-trichlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethyl]pyridin-2-one?

5-chloro-1-[2-oxo-2-[4-[4-[5-(2,4,6-trichlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethyl]pyridin-2-one has a molecular weight of 586.33 g/mol, XLogP of 6.19, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-1-[2-oxo-2-[4-[4-[5-(2,4,6-trichlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 135362890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).