3-(3-azabicyclo[3.1.0]hexan-1-yl)-4-(trifluoromethyl)-1,2-oxazole;hydrochloride

C9H10ClF3N2O — CID 162308165

IUPAC3-(3-azabicyclo[3.1.0]hexan-1-yl)-4-(trifluoromethyl)-1,2-oxazole;hydrochloride
SMILESCl.FC(F)(F)c1conc1C12CNCC1C2
InChIInChI=1S/C9H9F3N2O.ClH/c10-9(11,12)6-3-15-14-7(6)8-1-5(8)2-13-4-8;/h3,5,13H,1-2,4H2;1H
InChIKeyROWOYGVPCJEHMH-UHFFFAOYSA-N
MW254.64 g/mol
LogP1.98
Rot. Bonds1

About 3-(3-azabicyclo[3.1.0]hexan-1-yl)-4-(trifluoromethyl)-1,2-oxazole;hydrochloride

3-(3-azabicyclo[3.1.0]hexan-1-yl)-4-(trifluoromethyl)-1,2-oxazole;hydrochloride (PubChem CID 162308165) has the molecular formula C9H10ClF3N2O and a molecular weight of 254.64 g/mol. Its IUPAC name is 3-(3-azabicyclo[3.1.0]hexan-1-yl)-4-(trifluoromethyl)-1,2-oxazole;hydrochloride.

Molecular Properties

Compound Name3-(3-azabicyclo[3.1.0]hexan-1-yl)-4-(trifluoromethyl)-1,2-oxazole;hydrochloride
PubChem CID162308165
Molecular FormulaC9H10ClF3N2O
Molecular Weight254.64 g/mol
Exact Mass254.04
IUPAC Name3-(3-azabicyclo[3.1.0]hexan-1-yl)-4-(trifluoromethyl)-1,2-oxazole;hydrochloride
SMILESCl.FC(F)(F)c1conc1C12CNCC1C2
InChIInChI=1S/C9H9F3N2O.ClH/c10-9(11,12)6-3-15-14-7(6)8-1-5(8)2-13-4-8;/h3,5,13H,1-2,4H2;1H
InChIKeyROWOYGVPCJEHMH-UHFFFAOYSA-N
XLogP1.98
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.64
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-Azabicyclo[3.1.0]hexan-1-yl)-4-(trifluoromethyl)-1,2-oxazole
CID 71250492
3-(3-Azabicyclo[3.1.0]hexan-1-yl)-5-(trifluoromethyl)isoxazole
CID 71250531
3-(3-Azabicyclo[3.1.0]hexan-1-yl)-4-methyl-5-(trifluoromethyl)-1,2-oxazole
CID 71250535
Tert-butyl 1-[4-(trifluoromethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 71250614
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
3-(3-Azabicyclo[3.1.0]hexan-1-yl)-5-(1,1-difluoroethyl)-1,2-oxazole
CID 156077288
4-(1,1-Difluoroethyl)-3-piperidin-4-yl-1,2-oxazole
CID 156077329
3-(3-Azabicyclo[3.1.0]hexan-1-yl)-4-methyl-5-(trifluoromethyl)-1,2-oxazole;hydrochloride
CID 162307641
3-[(1R,5R)-3-azabicyclo[3.1.0]hexan-1-yl]-5-(trifluoromethyl)-1,2-oxazole;hydrochloride
CID 170959629
3-[(1R,5R)-3-azabicyclo[3.1.0]hexan-1-yl]-5-(trifluoromethyl)-1,2-oxazole
CID 170959630
3-[(1R,5R)-3-azoniabicyclo[3.1.0]hexan-1-yl]-5-(trifluoromethyl)-1,2-oxazole
CID 171048539

Frequently Asked Questions

What is the IUPAC name of 3-(3-azabicyclo[3.1.0]hexan-1-yl)-4-(trifluoromethyl)-1,2-oxazole;hydrochloride?
The IUPAC name of 3-(3-azabicyclo[3.1.0]hexan-1-yl)-4-(trifluoromethyl)-1,2-oxazole;hydrochloride (CID 162308165) is 3-(3-azabicyclo[3.1.0]hexan-1-yl)-4-(trifluoromethyl)-1,2-oxazole;hydrochloride.
What is the SMILES notation for 3-(3-azabicyclo[3.1.0]hexan-1-yl)-4-(trifluoromethyl)-1,2-oxazole;hydrochloride?
The canonical SMILES for 3-(3-azabicyclo[3.1.0]hexan-1-yl)-4-(trifluoromethyl)-1,2-oxazole;hydrochloride is Cl.FC(F)(F)c1conc1C12CNCC1C2.
What is the InChIKey of 3-(3-azabicyclo[3.1.0]hexan-1-yl)-4-(trifluoromethyl)-1,2-oxazole;hydrochloride?
The InChIKey is ROWOYGVPCJEHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O.ClH/c10-9(11,12)6-3-15-14-7(6)8-1-5(8)2-13-4-8;/h3,5,13H,1-2,4H2;1H.
What are the key properties of 3-(3-azabicyclo[3.1.0]hexan-1-yl)-4-(trifluoromethyl)-1,2-oxazole;hydrochloride?
3-(3-azabicyclo[3.1.0]hexan-1-yl)-4-(trifluoromethyl)-1,2-oxazole;hydrochloride has a molecular weight of 254.64 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-azabicyclo[3.1.0]hexan-1-yl)-4-(trifluoromethyl)-1,2-oxazole;hydrochloride is sourced from PubChem (CID 162308165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).