ethyl 2-[(4R)-3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]piperidin-4-yl]acetate

C27H32N2O4 — CID 59026470

About ethyl 2-[(4R)-3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]piperidin-4-yl]acetate

ethyl 2-[(4R)-3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]piperidin-4-yl]acetate (PubChem CID 59026470) has the molecular formula C27H32N2O4 and a molecular weight of 448.56 g/mol. Its IUPAC name is ethyl 2-[(4R)-3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]piperidin-4-yl]acetate.

Molecular Properties

• Compound Name: ethyl 2-[(4R)-3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]piperidin-4-yl]acetate
• PubChem CID: 59026470
• Molecular Formula: C27H32N2O4
• Molecular Weight: 448.56 g/mol
• Exact Mass: 448.24
• IUPAC Name: ethyl 2-[(4R)-3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]piperidin-4-yl]acetate
• SMILES: CCOC(=O)C[C@H]1CCNCC1c1cccc(OCCc2nc(-c3ccccc3)oc2C)c1
• InChI: InChI=1S/C27H32N2O4/c1-3-31-26(30)17-22-12-14-28-18-24(22)21-10-7-11-23(16-21)32-15-13-25-19(2)33-27(29-25)20-8-5-4-6-9-20/h4-11,16,22,24,28H,3,12-15,17-18H2,1-2H3/t22-,24?/m1/s1
• InChIKey: WCTJHTNTCJRXSG-LETIRJCYSA-N
• XLogP: 4.92
• TPSA: 73.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.56
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4R)-3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]piperidin-4-yl]acetate?

The IUPAC name of ethyl 2-[(4R)-3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]piperidin-4-yl]acetate (CID 59026470) is ethyl 2-[(4R)-3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]piperidin-4-yl]acetate.

What is the SMILES notation for ethyl 2-[(4R)-3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]piperidin-4-yl]acetate?

The canonical SMILES for ethyl 2-[(4R)-3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]piperidin-4-yl]acetate is CCOC(=O)C[C@H]1CCNCC1c1cccc(OCCc2nc(-c3ccccc3)oc2C)c1.

What is the InChIKey of ethyl 2-[(4R)-3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]piperidin-4-yl]acetate?

The InChIKey is WCTJHTNTCJRXSG-LETIRJCYSA-N. The full InChI is InChI=1S/C27H32N2O4/c1-3-31-26(30)17-22-12-14-28-18-24(22)21-10-7-11-23(16-21)32-15-13-25-19(2)33-27(29-25)20-8-5-4-6-9-20/h4-11,16,22,24,28H,3,12-15,17-18H2,1-2H3/t22-,24?/m1/s1.

What are the key properties of ethyl 2-[(4R)-3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]piperidin-4-yl]acetate?

ethyl 2-[(4R)-3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]piperidin-4-yl]acetate has a molecular weight of 448.56 g/mol, XLogP of 4.92, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[(4R)-3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]piperidin-4-yl]acetate is sourced from PubChem (CID 59026470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).