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

C23H18F5N3O3 — CID 126762501

IUPAC[3-(fluoromethyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-fluoro-6-(1,3-oxazol-2-yl)phenyl]methanone
SMILESO=C(c1c(F)cccc1-c1ncco1)N1C(CF)C2CC(Oc3ccc(C(F)(F)F)cn3)C1C2
InChIInChI=1S/C23H18F5N3O3/c24-10-17-12-8-16(18(9-12)34-19-5-4-13(11-30-19)23(26,27)28)31(17)22(32)20-14(2-1-3-15(20)25)21-29-6-7-33-21/h1-7,11-12,16-18H,8-10H2
InChIKeyNNNZDBJFZCIYKI-UHFFFAOYSA-N
MW479.41 g/mol
LogP4.91
Rot. Bonds5

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

[3-(fluoromethyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-fluoro-6-(1,3-oxazol-2-yl)phenyl]methanone (PubChem CID 126762501) has the molecular formula C23H18F5N3O3 and a molecular weight of 479.41 g/mol. Its IUPAC name is [3-(fluoromethyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-fluoro-6-(1,3-oxazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[3-(fluoromethyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-fluoro-6-(1,3-oxazol-2-yl)phenyl]methanone
PubChem CID126762501
Molecular FormulaC23H18F5N3O3
Molecular Weight479.41 g/mol
Exact Mass479.13
IUPAC Name[3-(fluoromethyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-fluoro-6-(1,3-oxazol-2-yl)phenyl]methanone
SMILESO=C(c1c(F)cccc1-c1ncco1)N1C(CF)C2CC(Oc3ccc(C(F)(F)F)cn3)C1C2
InChIInChI=1S/C23H18F5N3O3/c24-10-17-12-8-16(18(9-12)34-19-5-4-13(11-30-19)23(26,27)28)31(17)22(32)20-14(2-1-3-15(20)25)21-29-6-7-33-21/h1-7,11-12,16-18H,8-10H2
InChIKeyNNNZDBJFZCIYKI-UHFFFAOYSA-N
XLogP4.91
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.41
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of [3-(fluoromethyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-fluoro-6-(1,3-oxazol-2-yl)phenyl]methanone?
The IUPAC name of [3-(fluoromethyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-fluoro-6-(1,3-oxazol-2-yl)phenyl]methanone (CID 126762501) is [3-(fluoromethyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-fluoro-6-(1,3-oxazol-2-yl)phenyl]methanone.
What is the SMILES notation for [3-(fluoromethyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-fluoro-6-(1,3-oxazol-2-yl)phenyl]methanone?
The canonical SMILES for [3-(fluoromethyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-fluoro-6-(1,3-oxazol-2-yl)phenyl]methanone is O=C(c1c(F)cccc1-c1ncco1)N1C(CF)C2CC(Oc3ccc(C(F)(F)F)cn3)C1C2.
What is the InChIKey of [3-(fluoromethyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-fluoro-6-(1,3-oxazol-2-yl)phenyl]methanone?
The InChIKey is NNNZDBJFZCIYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F5N3O3/c24-10-17-12-8-16(18(9-12)34-19-5-4-13(11-30-19)23(26,27)28)31(17)22(32)20-14(2-1-3-15(20)25)21-29-6-7-33-21/h1-7,11-12,16-18H,8-10H2.
What are the key properties of [3-(fluoromethyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-fluoro-6-(1,3-oxazol-2-yl)phenyl]methanone?
[3-(fluoromethyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-fluoro-6-(1,3-oxazol-2-yl)phenyl]methanone has a molecular weight of 479.41 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(fluoromethyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-fluoro-6-(1,3-oxazol-2-yl)phenyl]methanone is sourced from PubChem (CID 126762501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).