[6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-1-yl] 2,2,2-trifluoroacetate

C11H11F3N2O3 — CID 168860944

IUPAC[6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-1-yl] 2,2,2-trifluoroacetate
SMILESCc1cc(C2C3CNCC32OC(=O)C(F)(F)F)no1
InChIInChI=1S/C11H11F3N2O3/c1-5-2-7(16-19-5)8-6-3-15-4-10(6,8)18-9(17)11(12,13)14/h2,6,8,15H,3-4H2,1H3
InChIKeyHNUUZGKJCITTON-UHFFFAOYSA-N
MW276.21 g/mol
LogP1.14
Rot. Bonds2

About [6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-1-yl] 2,2,2-trifluoroacetate

[6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-1-yl] 2,2,2-trifluoroacetate (PubChem CID 168860944) has the molecular formula C11H11F3N2O3 and a molecular weight of 276.21 g/mol. Its IUPAC name is [6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-1-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-1-yl] 2,2,2-trifluoroacetate
PubChem CID168860944
Molecular FormulaC11H11F3N2O3
Molecular Weight276.21 g/mol
Exact Mass276.07
IUPAC Name[6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-1-yl] 2,2,2-trifluoroacetate
SMILESCc1cc(C2C3CNCC32OC(=O)C(F)(F)F)no1
InChIInChI=1S/C11H11F3N2O3/c1-5-2-7(16-19-5)8-6-3-15-4-10(6,8)18-9(17)11(12,13)14/h2,6,8,15H,3-4H2,1H3
InChIKeyHNUUZGKJCITTON-UHFFFAOYSA-N
XLogP1.14
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-1-yl] 2,2,2-trifluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-[5-(Difluoromethyl)-4-methyl-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-1-yl] 2,2,2-trifluoroacetate
CID 168860960
3-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazole;2,2,2-trifluoroacetic acid
CID 175855141
3-(3-Azabicyclo[3.1.0]hexan-6-yl)-5-methyl-1,2-oxazole
CID 167524539
4-((5-Cyclopropylisoxazol-3-yl)methyl)piperidin-4-ol
CID 139600412
3-[(5-Methyl-1,2-oxazol-3-yl)methyl]piperidin-3-ol
CID 165615555
3-[(5-Methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
CID 165666454
4-Methoxy-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine
CID 165717837
4-[(5-Methyl-1,2-oxazol-3-yl)methyl]piperidin-4-ol
CID 165969274
3-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazole
CID 175855142

Frequently Asked Questions

What is the IUPAC name of [6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-1-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-1-yl] 2,2,2-trifluoroacetate (CID 168860944) is [6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-1-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-1-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-1-yl] 2,2,2-trifluoroacetate is Cc1cc(C2C3CNCC32OC(=O)C(F)(F)F)no1.
What is the InChIKey of [6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-1-yl] 2,2,2-trifluoroacetate?
The InChIKey is HNUUZGKJCITTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3/c1-5-2-7(16-19-5)8-6-3-15-4-10(6,8)18-9(17)11(12,13)14/h2,6,8,15H,3-4H2,1H3.
What are the key properties of [6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-1-yl] 2,2,2-trifluoroacetate?
[6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-1-yl] 2,2,2-trifluoroacetate has a molecular weight of 276.21 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-1-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 168860944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).