1-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one

C20H25ClN2O3 — CID 124992183

About 1-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one

1-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one (PubChem CID 124992183) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is 1-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one.

Molecular Properties

• Compound Name: 1-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one
• PubChem CID: 124992183
• Molecular Formula: C20H25ClN2O3
• Molecular Weight: 376.88 g/mol
• Exact Mass: 376.16
• IUPAC Name: 1-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one
• SMILES: COC(C)(C)C(=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1
• InChI: InChI=1S/C20H25ClN2O3/c1-20(2,25-3)19(24)23-11-5-4-6-17(23)18-22-13-16(26-18)12-14-7-9-15(21)10-8-14/h7-10,13,17H,4-6,11-12H2,1-3H3/t17-/m1/s1
• InChIKey: POQWLIIBTPEWCJ-QGZVFWFLSA-N
• XLogP: 4.40
• TPSA: 55.57 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.88
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one?

The IUPAC name of 1-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one (CID 124992183) is 1-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one.

What is the SMILES notation for 1-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one?

The canonical SMILES for 1-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one is COC(C)(C)C(=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1.

What is the InChIKey of 1-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one?

The InChIKey is POQWLIIBTPEWCJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c1-20(2,25-3)19(24)23-11-5-4-6-17(23)18-22-13-16(26-18)12-14-7-9-15(21)10-8-14/h7-10,13,17H,4-6,11-12H2,1-3H3/t17-/m1/s1.

What are the key properties of 1-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one?

1-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one has a molecular weight of 376.88 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one is sourced from PubChem (CID 124992183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).