ethyl (3R)-3-[(3-chlorophenyl)methyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxylate

C20H23ClN2O4 — CID 42507715

About ethyl (3R)-3-[(3-chlorophenyl)methyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxylate

ethyl (3R)-3-[(3-chlorophenyl)methyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxylate (PubChem CID 42507715) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is ethyl (3R)-3-[(3-chlorophenyl)methyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl (3R)-3-[(3-chlorophenyl)methyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxylate
• PubChem CID: 42507715
• Molecular Formula: C20H23ClN2O4
• Molecular Weight: 390.87 g/mol
• Exact Mass: 390.13
• IUPAC Name: ethyl (3R)-3-[(3-chlorophenyl)methyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxylate
• SMILES: CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCCN(C(=O)c2ocnc2C)C1
• InChI: InChI=1S/C20H23ClN2O4/c1-3-26-19(25)20(11-15-6-4-7-16(21)10-15)8-5-9-23(12-20)18(24)17-14(2)22-13-27-17/h4,6-7,10,13H,3,5,8-9,11-12H2,1-2H3/t20-/m1/s1
• InChIKey: NRUWQTDUSQEZRJ-HXUWFJFHSA-N
• XLogP: 3.66
• TPSA: 72.64 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.87
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-[(3-chlorophenyl)methyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxylate?

The IUPAC name of ethyl (3R)-3-[(3-chlorophenyl)methyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxylate (CID 42507715) is ethyl (3R)-3-[(3-chlorophenyl)methyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxylate.

What is the SMILES notation for ethyl (3R)-3-[(3-chlorophenyl)methyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxylate?

The canonical SMILES for ethyl (3R)-3-[(3-chlorophenyl)methyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxylate is CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCCN(C(=O)c2ocnc2C)C1.

What is the InChIKey of ethyl (3R)-3-[(3-chlorophenyl)methyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxylate?

The InChIKey is NRUWQTDUSQEZRJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-3-26-19(25)20(11-15-6-4-7-16(21)10-15)8-5-9-23(12-20)18(24)17-14(2)22-13-27-17/h4,6-7,10,13H,3,5,8-9,11-12H2,1-2H3/t20-/m1/s1.

What are the key properties of ethyl (3R)-3-[(3-chlorophenyl)methyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxylate?

ethyl (3R)-3-[(3-chlorophenyl)methyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxylate has a molecular weight of 390.87 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (3R)-3-[(3-chlorophenyl)methyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 42507715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).