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

C31H36N2O6 — CID 10414708

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

5-[2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-1-(2-methylpropoxycarbonyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid (PubChem CID 10414708) has the molecular formula C31H36N2O6 and a molecular weight of 532.64 g/mol. Its IUPAC name is 5-[2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-1-(2-methylpropoxycarbonyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 5-[2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-1-(2-methylpropoxycarbonyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
• PubChem CID: 10414708
• Molecular Formula: C31H36N2O6
• Molecular Weight: 532.64 g/mol
• Exact Mass: 532.26
• IUPAC Name: 5-[2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-1-(2-methylpropoxycarbonyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
• SMILES: Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCC2=C(C(=O)O)CCN(C(=O)OCC(C)C)C2)cc1
• InChI: InChI=1S/C31H36N2O6/c1-21(2)20-38-31(36)33-17-15-27(30(34)35)25(19-33)12-9-23-10-13-26(14-11-23)37-18-16-28-22(3)39-29(32-28)24-7-5-4-6-8-24/h4-8,10-11,13-14,21H,9,12,15-20H2,1-3H3,(H,34,35)
• InChIKey: KFTRRHRBOGHGRG-UHFFFAOYSA-N
• XLogP: 6.08
• TPSA: 102.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.64
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-1-(2-methylpropoxycarbonyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid (CID 10414708) is 5-[2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-1-(2-methylpropoxycarbonyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid.

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

The canonical SMILES for 5-[2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-1-(2-methylpropoxycarbonyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid is Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCC2=C(C(=O)O)CCN(C(=O)OCC(C)C)C2)cc1.

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

The InChIKey is KFTRRHRBOGHGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N2O6/c1-21(2)20-38-31(36)33-17-15-27(30(34)35)25(19-33)12-9-23-10-13-26(14-11-23)37-18-16-28-22(3)39-29(32-28)24-7-5-4-6-8-24/h4-8,10-11,13-14,21H,9,12,15-20H2,1-3H3,(H,34,35).

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

5-[2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-1-(2-methylpropoxycarbonyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid has a molecular weight of 532.64 g/mol, XLogP of 6.08, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-1-(2-methylpropoxycarbonyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid is sourced from PubChem (CID 10414708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).