[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone

C23H23ClN2O3 — CID 125013086

About [(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone

[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 125013086) has the molecular formula C23H23ClN2O3 and a molecular weight of 410.90 g/mol. Its IUPAC name is [(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

• Compound Name: [(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
• PubChem CID: 125013086
• Molecular Formula: C23H23ClN2O3
• Molecular Weight: 410.90 g/mol
• Exact Mass: 410.14
• IUPAC Name: [(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
• SMILES: COc1ccccc1C(=O)N1CCCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1
• InChI: InChI=1S/C23H23ClN2O3/c1-28-21-8-3-2-6-19(21)23(27)26-13-5-4-7-20(26)22-25-15-18(29-22)14-16-9-11-17(24)12-10-16/h2-3,6,8-12,15,20H,4-5,7,13-14H2,1H3/t20-/m0/s1
• InChIKey: WCPPKMPBPWOPPV-FQEVSTJZSA-N
• XLogP: 5.29
• TPSA: 55.57 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.90
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of [(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone (CID 125013086) is [(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone.

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

The canonical SMILES for [(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1.

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

The InChIKey is WCPPKMPBPWOPPV-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H23ClN2O3/c1-28-21-8-3-2-6-19(21)23(27)26-13-5-4-7-20(26)22-25-15-18(29-22)14-16-9-11-17(24)12-10-16/h2-3,6,8-12,15,20H,4-5,7,13-14H2,1H3/t20-/m0/s1.

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

[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 410.90 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 125013086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).