6-[(6R)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-6-methyl-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid

C28H28F3N3O5 — CID 138485732

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

6-[(6R)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-6-methyl-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid (PubChem CID 138485732) has the molecular formula C28H28F3N3O5 and a molecular weight of 543.54 g/mol. Its IUPAC name is 6-[(6R)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-6-methyl-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-[(6R)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-6-methyl-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid
• PubChem CID: 138485732
• Molecular Formula: C28H28F3N3O5
• Molecular Weight: 543.54 g/mol
• Exact Mass: 543.20
• IUPAC Name: 6-[(6R)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-6-methyl-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid
• SMILES: C[C@@H]1CC2CC(OCc3c(-c4ccccc4OC(F)(F)F)noc3C3CC3)CC1N2c1ccc(C(=O)O)cn1
• InChI: InChI=1S/C28H28F3N3O5/c1-15-10-18-11-19(12-22(15)34(18)24-9-8-17(13-32-24)27(35)36)37-14-21-25(33-39-26(21)16-6-7-16)20-4-2-3-5-23(20)38-28(29,30)31/h2-5,8-9,13,15-16,18-19,22H,6-7,10-12,14H2,1H3,(H,35,36)/t15-,18?,19?,22?/m1/s1
• InChIKey: PCCIPCXSIPANNV-VGPAATBGSA-N
• XLogP: 6.17
• TPSA: 97.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.54
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-[(6R)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-6-methyl-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid (CID 138485732) is 6-[(6R)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-6-methyl-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid.

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

The canonical SMILES for 6-[(6R)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-6-methyl-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid is C[C@@H]1CC2CC(OCc3c(-c4ccccc4OC(F)(F)F)noc3C3CC3)CC1N2c1ccc(C(=O)O)cn1.

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

The InChIKey is PCCIPCXSIPANNV-VGPAATBGSA-N. The full InChI is InChI=1S/C28H28F3N3O5/c1-15-10-18-11-19(12-22(15)34(18)24-9-8-17(13-32-24)27(35)36)37-14-21-25(33-39-26(21)16-6-7-16)20-4-2-3-5-23(20)38-28(29,30)31/h2-5,8-9,13,15-16,18-19,22H,6-7,10-12,14H2,1H3,(H,35,36)/t15-,18?,19?,22?/m1/s1.

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

6-[(6R)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-6-methyl-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid has a molecular weight of 543.54 g/mol, XLogP of 6.17, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(6R)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-6-methyl-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 138485732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).