1-benzyl-5-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;ethyl 1-benzyl-5-[(3-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxylate

C55H59N3O7 — CID 160512767

About 1-benzyl-5-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;ethyl 1-benzyl-5-[(3-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxylate

1-benzyl-5-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;ethyl 1-benzyl-5-[(3-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxylate (PubChem CID 160512767) has the molecular formula C55H59N3O7 and a molecular weight of 874.09 g/mol. Its IUPAC name is 1-benzyl-5-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;ethyl 1-benzyl-5-[(3-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxylate.

Molecular Properties

• Compound Name: 1-benzyl-5-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;ethyl 1-benzyl-5-[(3-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxylate
• PubChem CID: 160512767
• Molecular Formula: C55H59N3O7
• Molecular Weight: 874.09 g/mol
• Exact Mass: 873.44
• IUPAC Name: 1-benzyl-5-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;ethyl 1-benzyl-5-[(3-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxylate
• SMILES: CCOC(=O)C1=C(Cc2cccc(OC)c2)CN(Cc2ccccc2)CC1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CC2=C(C(=O)O)CCN(Cc3ccccc3)C2)c1
• InChI: InChI=1S/C32H32N2O4.C23H27NO3/c1-23-30(33-31(38-23)26-12-6-3-7-13-26)16-18-37-28-14-8-11-25(20-28)19-27-22-34(17-15-29(27)32(35)36)21-24-9-4-2-5-10-24;1-3-27-23(25)22-12-13-24(16-18-8-5-4-6-9-18)17-20(22)14-19-10-7-11-21(15-19)26-2/h2-14,20H,15-19,21-22H2,1H3,(H,35,36);4-11,15H,3,12-14,16-17H2,1-2H3
• InChIKey: QTGNKJHQAXBZAD-UHFFFAOYSA-N
• XLogP: 10.10
• TPSA: 114.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	874.09
LogP ≤ 5	10.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;ethyl 1-benzyl-5-[(3-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxylate?

The IUPAC name of 1-benzyl-5-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;ethyl 1-benzyl-5-[(3-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxylate (CID 160512767) is 1-benzyl-5-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;ethyl 1-benzyl-5-[(3-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxylate.

What is the SMILES notation for 1-benzyl-5-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;ethyl 1-benzyl-5-[(3-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxylate?

The canonical SMILES for 1-benzyl-5-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;ethyl 1-benzyl-5-[(3-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxylate is CCOC(=O)C1=C(Cc2cccc(OC)c2)CN(Cc2ccccc2)CC1.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CC2=C(C(=O)O)CCN(Cc3ccccc3)C2)c1.

What is the InChIKey of 1-benzyl-5-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;ethyl 1-benzyl-5-[(3-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxylate?

The InChIKey is QTGNKJHQAXBZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O4.C23H27NO3/c1-23-30(33-31(38-23)26-12-6-3-7-13-26)16-18-37-28-14-8-11-25(20-28)19-27-22-34(17-15-29(27)32(35)36)21-24-9-4-2-5-10-24;1-3-27-23(25)22-12-13-24(16-18-8-5-4-6-9-18)17-20(22)14-19-10-7-11-21(15-19)26-2/h2-14,20H,15-19,21-22H2,1H3,(H,35,36);4-11,15H,3,12-14,16-17H2,1-2H3.

What are the key properties of 1-benzyl-5-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;ethyl 1-benzyl-5-[(3-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxylate?

1-benzyl-5-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;ethyl 1-benzyl-5-[(3-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxylate has a molecular weight of 874.09 g/mol, XLogP of 10.10, 17 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-5-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid;ethyl 1-benzyl-5-[(3-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxylate is sourced from PubChem (CID 160512767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).