1-[(2S)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone

C22H24ClN3O2S — CID 124949387

About 1-[(2S)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone

1-[(2S)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone (PubChem CID 124949387) has the molecular formula C22H24ClN3O2S and a molecular weight of 429.97 g/mol. Its IUPAC name is 1-[(2S)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

• Compound Name: 1-[(2S)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone
• PubChem CID: 124949387
• Molecular Formula: C22H24ClN3O2S
• Molecular Weight: 429.97 g/mol
• Exact Mass: 429.13
• IUPAC Name: 1-[(2S)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone
• SMILES: Cc1nc(C)c(CC(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)s1
• InChI: InChI=1S/C22H24ClN3O2S/c1-14-20(29-15(2)25-14)12-21(27)26-10-6-5-9-19(26)22-24-13-17(28-22)11-16-7-3-4-8-18(16)23/h3-4,7-8,13,19H,5-6,9-12H2,1-2H3/t19-/m0/s1
• InChIKey: CTRYMGYNJGPPLA-IBGZPJMESA-N
• XLogP: 5.29
• TPSA: 59.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.97
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[(2S)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone (CID 124949387) is 1-[(2S)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone.

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

The canonical SMILES for 1-[(2S)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone is Cc1nc(C)c(CC(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)s1.

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

The InChIKey is CTRYMGYNJGPPLA-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24ClN3O2S/c1-14-20(29-15(2)25-14)12-21(27)26-10-6-5-9-19(26)22-24-13-17(28-22)11-16-7-3-4-8-18(16)23/h3-4,7-8,13,19H,5-6,9-12H2,1-2H3/t19-/m0/s1.

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

1-[(2S)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone has a molecular weight of 429.97 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 124949387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).