[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone

C67H56F11N13O6 — CID 161353194

About [3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone

[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (PubChem CID 161353194) has the molecular formula C67H56F11N13O6 and a molecular weight of 1348.25 g/mol. Its IUPAC name is [3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone.

Molecular Properties

• Compound Name: [3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
• PubChem CID: 161353194
• Molecular Formula: C67H56F11N13O6
• Molecular Weight: 1348.25 g/mol
• Exact Mass: 1347.43
• IUPAC Name: [3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
• SMILES: Cc1cccc(C(=O)N2C3CCC2C(Cc2ncc(C(F)(F)F)cn2)C3)c1-c1ncco1.O=C(c1cccc(F)c1-c1ncccn1)N1C2CCC1C(Oc1ncc(C(F)(F)F)cn1)C2.O=C(c1cccc(F)c1-c1ncco1)N1C2CCC1C(Cc1ncc(C(F)(F)F)cn1)C2
• InChI: InChI=1S/C23H21F3N4O2.C22H17F4N5O2.C22H18F4N4O2/c1-13-3-2-4-17(20(13)21-27-7-8-32-21)22(31)30-16-5-6-18(30)14(9-16)10-19-28-11-15(12-29-19)23(24,25)26;23-15-4-1-3-14(18(15)19-27-7-2-8-28-19)20(32)31-13-5-6-16(31)17(9-13)33-21-29-10-12(11-30-21)22(24,25)26;23-16-3-1-2-15(19(16)20-27-6-7-32-20)21(31)30-14-4-5-17(30)12(8-14)9-18-28-10-13(11-29-18)22(24,25)26/h2-4,7-8,11-12,14,16,18H,5-6,9-10H2,1H3;1-4,7-8,10-11,13,16-17H,5-6,9H2;1-3,6-7,10-12,14,17H,4-5,8-9H2
• InChIKey: VOEPZOQOOGYLLM-UHFFFAOYSA-N
• XLogP: 13.14
• TPSA: 225.34 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1348.25
LogP ≤ 5	13.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?

The IUPAC name of [3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (CID 161353194) is [3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone.

What is the SMILES notation for [3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?

The canonical SMILES for [3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone is Cc1cccc(C(=O)N2C3CCC2C(Cc2ncc(C(F)(F)F)cn2)C3)c1-c1ncco1.O=C(c1cccc(F)c1-c1ncccn1)N1C2CCC1C(Oc1ncc(C(F)(F)F)cn1)C2.O=C(c1cccc(F)c1-c1ncco1)N1C2CCC1C(Cc1ncc(C(F)(F)F)cn1)C2.

What is the InChIKey of [3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?

The InChIKey is VOEPZOQOOGYLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O2.C22H17F4N5O2.C22H18F4N4O2/c1-13-3-2-4-17(20(13)21-27-7-8-32-21)22(31)30-16-5-6-18(30)14(9-16)10-19-28-11-15(12-29-19)23(24,25)26;23-15-4-1-3-14(18(15)19-27-7-2-8-28-19)20(32)31-13-5-6-16(31)17(9-13)33-21-29-10-12(11-30-21)22(24,25)26;23-16-3-1-2-15(19(16)20-27-6-7-32-20)21(31)30-14-4-5-17(30)12(8-14)9-18-28-10-13(11-29-18)22(24,25)26/h2-4,7-8,11-12,14,16,18H,5-6,9-10H2,1H3;1-4,7-8,10-11,13,16-17H,5-6,9H2;1-3,6-7,10-12,14,17H,4-5,8-9H2.

What are the key properties of [3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?

[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone has a molecular weight of 1348.25 g/mol, XLogP of 13.14, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone is sourced from PubChem (CID 161353194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).