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

C26H26F3N3O4S — CID 123579589

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

2-[3-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]-6-methyl-8-azabicyclo[3.2.1]octan-8-yl]-1,3-thiazole-5-carboxylic acid (PubChem CID 123579589) has the molecular formula C26H26F3N3O4S and a molecular weight of 533.57 g/mol. Its IUPAC name is 2-[3-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]-6-methyl-8-azabicyclo[3.2.1]octan-8-yl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

• Compound Name: 2-[3-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]-6-methyl-8-azabicyclo[3.2.1]octan-8-yl]-1,3-thiazole-5-carboxylic acid
• PubChem CID: 123579589
• Molecular Formula: C26H26F3N3O4S
• Molecular Weight: 533.57 g/mol
• Exact Mass: 533.16
• IUPAC Name: 2-[3-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]-6-methyl-8-azabicyclo[3.2.1]octan-8-yl]-1,3-thiazole-5-carboxylic acid
• SMILES: CC1CC2CC(OCc3c(-c4ccccc4C(F)(F)F)noc3C3CC3)CC1N2c1ncc(C(=O)O)s1
• InChI: InChI=1S/C26H26F3N3O4S/c1-13-8-15-9-16(10-20(13)32(15)25-30-11-21(37-25)24(33)34)35-12-18-22(31-36-23(18)14-6-7-14)17-4-2-3-5-19(17)26(27,28)29/h2-5,11,13-16,20H,6-10,12H2,1H3,(H,33,34)
• InChIKey: SQPIUJCAFOAOOF-UHFFFAOYSA-N
• XLogP: 6.36
• TPSA: 88.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.57
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[3-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]-6-methyl-8-azabicyclo[3.2.1]octan-8-yl]-1,3-thiazole-5-carboxylic acid (CID 123579589) is 2-[3-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]-6-methyl-8-azabicyclo[3.2.1]octan-8-yl]-1,3-thiazole-5-carboxylic acid.

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

The canonical SMILES for 2-[3-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]-6-methyl-8-azabicyclo[3.2.1]octan-8-yl]-1,3-thiazole-5-carboxylic acid is CC1CC2CC(OCc3c(-c4ccccc4C(F)(F)F)noc3C3CC3)CC1N2c1ncc(C(=O)O)s1.

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

The InChIKey is SQPIUJCAFOAOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N3O4S/c1-13-8-15-9-16(10-20(13)32(15)25-30-11-21(37-25)24(33)34)35-12-18-22(31-36-23(18)14-6-7-14)17-4-2-3-5-19(17)26(27,28)29/h2-5,11,13-16,20H,6-10,12H2,1H3,(H,33,34).

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

2-[3-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]-6-methyl-8-azabicyclo[3.2.1]octan-8-yl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 533.57 g/mol, XLogP of 6.36, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]-6-methyl-8-azabicyclo[3.2.1]octan-8-yl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 123579589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).