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

C27H27F3N4O4 — CID 130282503

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

5-[(6R)-3-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]-6-methyl-8-azabicyclo[3.2.1]octan-8-yl]pyrazine-2-carboxylic acid (PubChem CID 130282503) has the molecular formula C27H27F3N4O4 and a molecular weight of 528.53 g/mol. Its IUPAC name is 5-[(6R)-3-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]-6-methyl-8-azabicyclo[3.2.1]octan-8-yl]pyrazine-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-[(6R)-3-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]-6-methyl-8-azabicyclo[3.2.1]octan-8-yl]pyrazine-2-carboxylic acid
• PubChem CID: 130282503
• Molecular Formula: C27H27F3N4O4
• Molecular Weight: 528.53 g/mol
• Exact Mass: 528.20
• IUPAC Name: 5-[(6R)-3-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]-6-methyl-8-azabicyclo[3.2.1]octan-8-yl]pyrazine-2-carboxylic acid
• SMILES: C[C@@H]1CC2CC(OCc3c(-c4ccccc4C(F)(F)F)noc3C3CC3)CC1N2c1cnc(C(=O)O)cn1
• InChI: InChI=1S/C27H27F3N4O4/c1-14-8-16-9-17(10-22(14)34(16)23-12-31-21(11-32-23)26(35)36)37-13-19-24(33-38-25(19)15-6-7-15)18-4-2-3-5-20(18)27(28,29)30/h2-5,11-12,14-17,22H,6-10,13H2,1H3,(H,35,36)/t14-,16?,17?,22?/m1/s1
• InChIKey: OUFGNPFRHHKJME-XHZFVRRNSA-N
• XLogP: 5.69
• TPSA: 101.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.53
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[(6R)-3-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]-6-methyl-8-azabicyclo[3.2.1]octan-8-yl]pyrazine-2-carboxylic acid (CID 130282503) is 5-[(6R)-3-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]-6-methyl-8-azabicyclo[3.2.1]octan-8-yl]pyrazine-2-carboxylic acid.

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

The canonical SMILES for 5-[(6R)-3-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]-6-methyl-8-azabicyclo[3.2.1]octan-8-yl]pyrazine-2-carboxylic acid is C[C@@H]1CC2CC(OCc3c(-c4ccccc4C(F)(F)F)noc3C3CC3)CC1N2c1cnc(C(=O)O)cn1.

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

The InChIKey is OUFGNPFRHHKJME-XHZFVRRNSA-N. The full InChI is InChI=1S/C27H27F3N4O4/c1-14-8-16-9-17(10-22(14)34(16)23-12-31-21(11-32-23)26(35)36)37-13-19-24(33-38-25(19)15-6-7-15)18-4-2-3-5-20(18)27(28,29)30/h2-5,11-12,14-17,22H,6-10,13H2,1H3,(H,35,36)/t14-,16?,17?,22?/m1/s1.

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

5-[(6R)-3-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]-6-methyl-8-azabicyclo[3.2.1]octan-8-yl]pyrazine-2-carboxylic acid has a molecular weight of 528.53 g/mol, XLogP of 5.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(6R)-3-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]-6-methyl-8-azabicyclo[3.2.1]octan-8-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 130282503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).