[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone

C67H57F10N11O8 — CID 160768189

About [3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone

[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (PubChem CID 160768189) has the molecular formula C67H57F10N11O8 and a molecular weight of 1334.24 g/mol. Its IUPAC name is [3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-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)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
• PubChem CID: 160768189
• Molecular Formula: C67H57F10N11O8
• Molecular Weight: 1334.24 g/mol
• Exact Mass: 1333.42
• IUPAC Name: [3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
• SMILES: Cc1cccc(C(=O)N2C3CCC2C(Oc2ccc(C(F)(F)F)cn2)C3)c1-c1ncco1.Cc1cccc(C(=O)N2C3CCC2C(Oc2ccc(C(F)(F)F)nc2)C3)c1-n1nccn1.O=C(c1cccc(F)c1-c1ncco1)N1C2CCC1C(Oc1ccc(C(F)(F)F)cn1)C2
• InChI: InChI=1S/C23H20F3N3O3.C22H17F4N3O3.C22H20F3N5O2/c1-13-3-2-4-16(20(13)21-27-9-10-31-21)22(30)29-15-6-7-17(29)18(11-15)32-19-8-5-14(12-28-19)23(24,25)26;23-15-3-1-2-14(19(15)20-27-8-9-31-20)21(30)29-13-5-6-16(29)17(10-13)32-18-7-4-12(11-28-18)22(24,25)26;1-13-3-2-4-16(20(13)30-27-9-10-28-30)21(31)29-14-5-7-17(29)18(11-14)32-15-6-8-19(26-12-15)22(23,24)25/h2-5,8-10,12,15,17-18H,6-7,11H2,1H3;1-4,7-9,11,13,16-17H,5-6,10H2;2-4,6,8-10,12,14,17-18H,5,7,11H2,1H3
• InChIKey: RYYQNUNZUDNXCM-UHFFFAOYSA-N
• XLogP: 13.42
• TPSA: 210.06 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1334.24
LogP ≤ 5	13.42
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)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-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)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (CID 160768189) is [3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-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)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-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)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone is Cc1cccc(C(=O)N2C3CCC2C(Oc2ccc(C(F)(F)F)cn2)C3)c1-c1ncco1.Cc1cccc(C(=O)N2C3CCC2C(Oc2ccc(C(F)(F)F)nc2)C3)c1-n1nccn1.O=C(c1cccc(F)c1-c1ncco1)N1C2CCC1C(Oc1ccc(C(F)(F)F)cn1)C2.

What is the InChIKey of [3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?

The InChIKey is RYYQNUNZUDNXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O3.C22H17F4N3O3.C22H20F3N5O2/c1-13-3-2-4-16(20(13)21-27-9-10-31-21)22(30)29-15-6-7-17(29)18(11-15)32-19-8-5-14(12-28-19)23(24,25)26;23-15-3-1-2-14(19(15)20-27-8-9-31-20)21(30)29-13-5-6-16(29)17(10-13)32-18-7-4-12(11-28-18)22(24,25)26;1-13-3-2-4-16(20(13)30-27-9-10-28-30)21(31)29-14-5-7-17(29)18(11-14)32-15-6-8-19(26-12-15)22(23,24)25/h2-5,8-10,12,15,17-18H,6-7,11H2,1H3;1-4,7-9,11,13,16-17H,5-6,10H2;2-4,6,8-10,12,14,17-18H,5,7,11H2,1H3.

What are the key properties of [3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?

[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone has a molecular weight of 1334.24 g/mol, XLogP of 13.42, 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)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone is sourced from PubChem (CID 160768189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).