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

C23H20F3N3O3 — CID 86271975

IUPAC[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESCc1cccc(C(=O)N2CC3CC(Oc4ccc(C(F)(F)F)cn4)C2C3)c1-c1ncco1
InChIInChI=1S/C23H20F3N3O3/c1-13-3-2-4-16(20(13)21-27-7-8-31-21)22(30)29-12-14-9-17(29)18(10-14)32-19-6-5-15(11-28-19)23(24,25)26/h2-8,11,14,17-18H,9-10,12H2,1H3
InChIKeyIIVBMGSJEAWDEA-UHFFFAOYSA-N
MW443.43 g/mol
LogP4.75
Rot. Bonds4

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

[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (PubChem CID 86271975) has the molecular formula C23H20F3N3O3 and a molecular weight of 443.43 g/mol. Its IUPAC name is [3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.

Molecular Properties

Compound Name[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
PubChem CID86271975
Molecular FormulaC23H20F3N3O3
Molecular Weight443.43 g/mol
Exact Mass443.15
IUPAC Name[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESCc1cccc(C(=O)N2CC3CC(Oc4ccc(C(F)(F)F)cn4)C2C3)c1-c1ncco1
InChIInChI=1S/C23H20F3N3O3/c1-13-3-2-4-16(20(13)21-27-7-8-31-21)22(30)29-12-14-9-17(29)18(10-14)32-19-6-5-15(11-28-19)23(24,25)26/h2-8,11,14,17-18H,9-10,12H2,1H3
InChIKeyIIVBMGSJEAWDEA-UHFFFAOYSA-N
XLogP4.75
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The IUPAC name of [3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (CID 86271975) is [3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.
What is the SMILES notation for [3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The canonical SMILES for [3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is Cc1cccc(C(=O)N2CC3CC(Oc4ccc(C(F)(F)F)cn4)C2C3)c1-c1ncco1.
What is the InChIKey of [3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The InChIKey is IIVBMGSJEAWDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O3/c1-13-3-2-4-16(20(13)21-27-7-8-31-21)22(30)29-12-14-9-17(29)18(10-14)32-19-6-5-15(11-28-19)23(24,25)26/h2-8,11,14,17-18H,9-10,12H2,1H3.
What are the key properties of [3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone has a molecular weight of 443.43 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is sourced from PubChem (CID 86271975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).