methyl 6-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-4-methylpyridine-3-carboxylate

C29H30F3N3O5 — CID 67984907

About methyl 6-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-4-methylpyridine-3-carboxylate

methyl 6-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-4-methylpyridine-3-carboxylate (PubChem CID 67984907) has the molecular formula C29H30F3N3O5 and a molecular weight of 557.57 g/mol. Its IUPAC name is methyl 6-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-4-methylpyridine-3-carboxylate.

Molecular Properties

• Compound Name: methyl 6-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-4-methylpyridine-3-carboxylate
• PubChem CID: 67984907
• Molecular Formula: C29H30F3N3O5
• Molecular Weight: 557.57 g/mol
• Exact Mass: 557.21
• IUPAC Name: methyl 6-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-4-methylpyridine-3-carboxylate
• SMILES: COC(=O)c1cnc(N2C3CCC2CC(OCc2c(-c4ccccc4OC(F)(F)F)noc2C2CC2)C3)cc1C
• InChI: InChI=1S/C29H30F3N3O5/c1-16-11-25(33-14-22(16)28(36)37-2)35-18-9-10-19(35)13-20(12-18)38-15-23-26(34-40-27(23)17-7-8-17)21-5-3-4-6-24(21)39-29(30,31)32/h3-6,11,14,17-20H,7-10,12-13,15H2,1-2H3
• InChIKey: GGANXWRWVNWHNL-UHFFFAOYSA-N
• XLogP: 6.32
• TPSA: 86.92 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.57
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl 6-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-4-methylpyridine-3-carboxylate?

The IUPAC name of methyl 6-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-4-methylpyridine-3-carboxylate (CID 67984907) is methyl 6-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-4-methylpyridine-3-carboxylate.

What is the SMILES notation for methyl 6-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-4-methylpyridine-3-carboxylate?

The canonical SMILES for methyl 6-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-4-methylpyridine-3-carboxylate is COC(=O)c1cnc(N2C3CCC2CC(OCc2c(-c4ccccc4OC(F)(F)F)noc2C2CC2)C3)cc1C.

What is the InChIKey of methyl 6-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-4-methylpyridine-3-carboxylate?

The InChIKey is GGANXWRWVNWHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F3N3O5/c1-16-11-25(33-14-22(16)28(36)37-2)35-18-9-10-19(35)13-20(12-18)38-15-23-26(34-40-27(23)17-7-8-17)21-5-3-4-6-24(21)39-29(30,31)32/h3-6,11,14,17-20H,7-10,12-13,15H2,1-2H3.

What are the key properties of methyl 6-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-4-methylpyridine-3-carboxylate?

methyl 6-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-4-methylpyridine-3-carboxylate has a molecular weight of 557.57 g/mol, XLogP of 6.32, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 6-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-4-methylpyridine-3-carboxylate is sourced from PubChem (CID 67984907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).