3-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)-1,2-oxazole

C10H11F3N2O — CID 90736523

IUPAC3-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)-1,2-oxazole
SMILESFC(F)(F)c1cc(C2CC3CCC2N3)no1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)9-4-8(15-16-9)6-3-5-1-2-7(6)14-5/h4-7,14H,1-3H2
InChIKeyFVOCXMZAWKSVRD-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.30
Rot. Bonds1

About 3-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)-1,2-oxazole

3-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)-1,2-oxazole (PubChem CID 90736523) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 3-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)-1,2-oxazole
PubChem CID90736523
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name3-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)-1,2-oxazole
SMILESFC(F)(F)c1cc(C2CC3CCC2N3)no1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)9-4-8(15-16-9)6-3-5-1-2-7(6)14-5/h4-7,14H,1-3H2
InChIKeyFVOCXMZAWKSVRD-UHFFFAOYSA-N
XLogP2.30
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

exo-2-(3-Methyl-5-isoxazolyl)-7-azabicyclo[2.2.1]heptane hydrochloride
CID 9794379
Epiboxidine
CID 5747670
Exo-epiboxidine
CID 44577577
Endo-epiboxidine
CID 44577578
3-(3-Azabicyclo[3.1.0]hexan-1-yl)-5-(trifluoromethyl)isoxazole
CID 71250531
3-(3-Azabicyclo[3.1.0]hexan-1-yl)-5-(trifluoromethyl)-1,2-oxazole;ethane;methane
CID 144520171
3-(3-Azabicyclo[3.1.0]hexan-1-yl)-5-(trifluoromethyl)isoxazole hydrochloride
CID 155894634
4-[2-[(3R,4R)-3-methyl-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]pyrrolidin-1-yl]ethyl]cyclohexan-1-amine
CID 156077269
3-(3-Azabicyclo[3.1.0]hexan-1-yl)-5-(1,1-difluoroethyl)-1,2-oxazole
CID 156077288
4-[2-[(1R,5R)-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexan-1-amine
CID 156622133
4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexan-1-amine
CID 165156840
3-[(1R,5R)-3-azabicyclo[3.1.0]hexan-1-yl]-5-(trifluoromethyl)-1,2-oxazole;hydrochloride
CID 170959629

Frequently Asked Questions

What is the IUPAC name of 3-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)-1,2-oxazole?
The IUPAC name of 3-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)-1,2-oxazole (CID 90736523) is 3-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)-1,2-oxazole.
What is the SMILES notation for 3-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)-1,2-oxazole?
The canonical SMILES for 3-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)-1,2-oxazole is FC(F)(F)c1cc(C2CC3CCC2N3)no1.
What is the InChIKey of 3-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)-1,2-oxazole?
The InChIKey is FVOCXMZAWKSVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c11-10(12,13)9-4-8(15-16-9)6-3-5-1-2-7(6)14-5/h4-7,14H,1-3H2.
What are the key properties of 3-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)-1,2-oxazole?
3-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)-1,2-oxazole has a molecular weight of 232.20 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 90736523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).