3-[(1R,5R)-3-azabicyclo[3.1.0]hexan-1-yl]-5-(trifluoromethyl)-1,2-oxazole

C9H9F3N2O — CID 170959630

IUPAC3-[(1R,5R)-3-azabicyclo[3.1.0]hexan-1-yl]-5-(trifluoromethyl)-1,2-oxazole
SMILESFC(F)(F)c1cc([C@@]23CNC[C@@H]2C3)no1
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)7-1-6(14-15-7)8-2-5(8)3-13-4-8/h1,5,13H,2-4H2/t5-,8-/m0/s1
InChIKeyCVVQKDCBYGKXLW-XNCJUZBTSA-N
MW218.18 g/mol
LogP1.55
Rot. Bonds1

About 3-[(1R,5R)-3-azabicyclo[3.1.0]hexan-1-yl]-5-(trifluoromethyl)-1,2-oxazole

3-[(1R,5R)-3-azabicyclo[3.1.0]hexan-1-yl]-5-(trifluoromethyl)-1,2-oxazole (PubChem CID 170959630) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is 3-[(1R,5R)-3-azabicyclo[3.1.0]hexan-1-yl]-5-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-[(1R,5R)-3-azabicyclo[3.1.0]hexan-1-yl]-5-(trifluoromethyl)-1,2-oxazole
PubChem CID170959630
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name3-[(1R,5R)-3-azabicyclo[3.1.0]hexan-1-yl]-5-(trifluoromethyl)-1,2-oxazole
SMILESFC(F)(F)c1cc([C@@]23CNC[C@@H]2C3)no1
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)7-1-6(14-15-7)8-2-5(8)3-13-4-8/h1,5,13H,2-4H2/t5-,8-/m0/s1
InChIKeyCVVQKDCBYGKXLW-XNCJUZBTSA-N
XLogP1.55
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R,5R)-3-azabicyclo[3.1.0]hexan-1-yl]-5-(trifluoromethyl)-1,2-oxazole?
The IUPAC name of 3-[(1R,5R)-3-azabicyclo[3.1.0]hexan-1-yl]-5-(trifluoromethyl)-1,2-oxazole (CID 170959630) is 3-[(1R,5R)-3-azabicyclo[3.1.0]hexan-1-yl]-5-(trifluoromethyl)-1,2-oxazole.
What is the SMILES notation for 3-[(1R,5R)-3-azabicyclo[3.1.0]hexan-1-yl]-5-(trifluoromethyl)-1,2-oxazole?
The canonical SMILES for 3-[(1R,5R)-3-azabicyclo[3.1.0]hexan-1-yl]-5-(trifluoromethyl)-1,2-oxazole is FC(F)(F)c1cc([C@@]23CNC[C@@H]2C3)no1.
What is the InChIKey of 3-[(1R,5R)-3-azabicyclo[3.1.0]hexan-1-yl]-5-(trifluoromethyl)-1,2-oxazole?
The InChIKey is CVVQKDCBYGKXLW-XNCJUZBTSA-N. The full InChI is InChI=1S/C9H9F3N2O/c10-9(11,12)7-1-6(14-15-7)8-2-5(8)3-13-4-8/h1,5,13H,2-4H2/t5-,8-/m0/s1.
What are the key properties of 3-[(1R,5R)-3-azabicyclo[3.1.0]hexan-1-yl]-5-(trifluoromethyl)-1,2-oxazole?
3-[(1R,5R)-3-azabicyclo[3.1.0]hexan-1-yl]-5-(trifluoromethyl)-1,2-oxazole has a molecular weight of 218.18 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,5R)-3-azabicyclo[3.1.0]hexan-1-yl]-5-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 170959630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).