3-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-N,N,5-trimethyl-1,2-oxazol-4-amine;2,2,2-trifluoroacetic acid

C13H18F3N3O3 — CID 175855268

IUPAC3-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-N,N,5-trimethyl-1,2-oxazol-4-amine;2,2,2-trifluoroacetic acid
SMILESCc1onc(C2[C@H]3CNC[C@@H]23)c1N(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C11H17N3O.C2HF3O2/c1-6-11(14(2)3)10(13-15-6)9-7-4-12-5-8(7)9;3-2(4,5)1(6)7/h7-9,12H,4-5H2,1-3H3;(H,6,7)/t7-,8+,9?;
InChIKeyQCDPMCVZZMVBQP-VMNZFRLGSA-N
MW321.30 g/mol
LogP1.62
Rot. Bonds2

About 3-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-N,N,5-trimethyl-1,2-oxazol-4-amine;2,2,2-trifluoroacetic acid

3-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-N,N,5-trimethyl-1,2-oxazol-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 175855268) has the molecular formula C13H18F3N3O3 and a molecular weight of 321.30 g/mol. Its IUPAC name is 3-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-N,N,5-trimethyl-1,2-oxazol-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-N,N,5-trimethyl-1,2-oxazol-4-amine;2,2,2-trifluoroacetic acid
PubChem CID175855268
Molecular FormulaC13H18F3N3O3
Molecular Weight321.30 g/mol
Exact Mass321.13
IUPAC Name3-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-N,N,5-trimethyl-1,2-oxazol-4-amine;2,2,2-trifluoroacetic acid
SMILESCc1onc(C2[C@H]3CNC[C@@H]23)c1N(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C11H17N3O.C2HF3O2/c1-6-11(14(2)3)10(13-15-6)9-7-4-12-5-8(7)9;3-2(4,5)1(6)7/h7-9,12H,4-5H2,1-3H3;(H,6,7)/t7-,8+,9?;
InChIKeyQCDPMCVZZMVBQP-VMNZFRLGSA-N
XLogP1.62
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-N,N,5-trimethyl-1,2-oxazol-4-amine;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-N,N,5-trimethyl-1,2-oxazol-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-N,N,5-trimethyl-1,2-oxazol-4-amine;2,2,2-trifluoroacetic acid (CID 175855268) is 3-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-N,N,5-trimethyl-1,2-oxazol-4-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-N,N,5-trimethyl-1,2-oxazol-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-N,N,5-trimethyl-1,2-oxazol-4-amine;2,2,2-trifluoroacetic acid is Cc1onc(C2[C@H]3CNC[C@@H]23)c1N(C)C.O=C(O)C(F)(F)F.
What is the InChIKey of 3-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-N,N,5-trimethyl-1,2-oxazol-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is QCDPMCVZZMVBQP-VMNZFRLGSA-N. The full InChI is InChI=1S/C11H17N3O.C2HF3O2/c1-6-11(14(2)3)10(13-15-6)9-7-4-12-5-8(7)9;3-2(4,5)1(6)7/h7-9,12H,4-5H2,1-3H3;(H,6,7)/t7-,8+,9?;.
What are the key properties of 3-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-N,N,5-trimethyl-1,2-oxazol-4-amine;2,2,2-trifluoroacetic acid?
3-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-N,N,5-trimethyl-1,2-oxazol-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 321.30 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-N,N,5-trimethyl-1,2-oxazol-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175855268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).