3-(3-azabicyclo[3.1.0]hexan-1-yl)-4-methyl-5-(trifluoromethyl)-1,2-oxazole;hydrochloride

C10H12ClF3N2O — CID 162307641

IUPAC3-(3-azabicyclo[3.1.0]hexan-1-yl)-4-methyl-5-(trifluoromethyl)-1,2-oxazole;hydrochloride
SMILESCc1c(C23CNCC2C3)noc1C(F)(F)F.Cl
InChIInChI=1S/C10H11F3N2O.ClH/c1-5-7(9-2-6(9)3-14-4-9)15-16-8(5)10(11,12)13;/h6,14H,2-4H2,1H3;1H
InChIKeyRILYRKUWONLJSV-UHFFFAOYSA-N
MW268.67 g/mol
LogP2.28
Rot. Bonds1

About 3-(3-azabicyclo[3.1.0]hexan-1-yl)-4-methyl-5-(trifluoromethyl)-1,2-oxazole;hydrochloride

3-(3-azabicyclo[3.1.0]hexan-1-yl)-4-methyl-5-(trifluoromethyl)-1,2-oxazole;hydrochloride (PubChem CID 162307641) has the molecular formula C10H12ClF3N2O and a molecular weight of 268.67 g/mol. Its IUPAC name is 3-(3-azabicyclo[3.1.0]hexan-1-yl)-4-methyl-5-(trifluoromethyl)-1,2-oxazole;hydrochloride.

Molecular Properties

Compound Name3-(3-azabicyclo[3.1.0]hexan-1-yl)-4-methyl-5-(trifluoromethyl)-1,2-oxazole;hydrochloride
PubChem CID162307641
Molecular FormulaC10H12ClF3N2O
Molecular Weight268.67 g/mol
Exact Mass268.06
IUPAC Name3-(3-azabicyclo[3.1.0]hexan-1-yl)-4-methyl-5-(trifluoromethyl)-1,2-oxazole;hydrochloride
SMILESCc1c(C23CNCC2C3)noc1C(F)(F)F.Cl
InChIInChI=1S/C10H11F3N2O.ClH/c1-5-7(9-2-6(9)3-14-4-9)15-16-8(5)10(11,12)13;/h6,14H,2-4H2,1H3;1H
InChIKeyRILYRKUWONLJSV-UHFFFAOYSA-N
XLogP2.28
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.67
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-azabicyclo[3.1.0]hexan-1-yl)-4-methyl-5-(trifluoromethyl)-1,2-oxazole;hydrochloride with MolForge

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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-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 71250568
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-[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
3-(3-Azabicyclo[3.1.0]hexan-1-yl)-4-(trifluoromethyl)-1,2-oxazole;hydrochloride
CID 162308165
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-(3-Azabicyclo[3.1.0]hexan-6-yl)-5-(difluoromethyl)-4-methyl-1,2-oxazole
CID 167524477
3-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-5-(difluoromethyl)-4-methyl-1,2-oxazole
CID 169736276

Frequently Asked Questions

What is the IUPAC name of 3-(3-azabicyclo[3.1.0]hexan-1-yl)-4-methyl-5-(trifluoromethyl)-1,2-oxazole;hydrochloride?
The IUPAC name of 3-(3-azabicyclo[3.1.0]hexan-1-yl)-4-methyl-5-(trifluoromethyl)-1,2-oxazole;hydrochloride (CID 162307641) is 3-(3-azabicyclo[3.1.0]hexan-1-yl)-4-methyl-5-(trifluoromethyl)-1,2-oxazole;hydrochloride.
What is the SMILES notation for 3-(3-azabicyclo[3.1.0]hexan-1-yl)-4-methyl-5-(trifluoromethyl)-1,2-oxazole;hydrochloride?
The canonical SMILES for 3-(3-azabicyclo[3.1.0]hexan-1-yl)-4-methyl-5-(trifluoromethyl)-1,2-oxazole;hydrochloride is Cc1c(C23CNCC2C3)noc1C(F)(F)F.Cl.
What is the InChIKey of 3-(3-azabicyclo[3.1.0]hexan-1-yl)-4-methyl-5-(trifluoromethyl)-1,2-oxazole;hydrochloride?
The InChIKey is RILYRKUWONLJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O.ClH/c1-5-7(9-2-6(9)3-14-4-9)15-16-8(5)10(11,12)13;/h6,14H,2-4H2,1H3;1H.
What are the key properties of 3-(3-azabicyclo[3.1.0]hexan-1-yl)-4-methyl-5-(trifluoromethyl)-1,2-oxazole;hydrochloride?
3-(3-azabicyclo[3.1.0]hexan-1-yl)-4-methyl-5-(trifluoromethyl)-1,2-oxazole;hydrochloride has a molecular weight of 268.67 g/mol, XLogP of 2.28, 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-methyl-5-(trifluoromethyl)-1,2-oxazole;hydrochloride is sourced from PubChem (CID 162307641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).