methyl 2,2,3,3-tetramethyl-7a-(trifluoromethyl)-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate

C12H17F3N2O3 — CID 11558400

IUPACmethyl 2,2,3,3-tetramethyl-7a-(trifluoromethyl)-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate
SMILESCOC(=O)C1=CON2C(C)(C)C(C)(C)NC12C(F)(F)F
InChIInChI=1S/C12H17F3N2O3/c1-9(2)10(3,4)17-11(16-9,12(13,14)15)7(6-20-17)8(18)19-5/h6,16H,1-5H3
InChIKeyAIGNSCUBUZNUHI-UHFFFAOYSA-N
MW294.27 g/mol
LogP1.71
Rot. Bonds1

About methyl 2,2,3,3-tetramethyl-7a-(trifluoromethyl)-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate

methyl 2,2,3,3-tetramethyl-7a-(trifluoromethyl)-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate (PubChem CID 11558400) has the molecular formula C12H17F3N2O3 and a molecular weight of 294.27 g/mol. Its IUPAC name is methyl 2,2,3,3-tetramethyl-7a-(trifluoromethyl)-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate.

Molecular Properties

Compound Namemethyl 2,2,3,3-tetramethyl-7a-(trifluoromethyl)-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate
PubChem CID11558400
Molecular FormulaC12H17F3N2O3
Molecular Weight294.27 g/mol
Exact Mass294.12
IUPAC Namemethyl 2,2,3,3-tetramethyl-7a-(trifluoromethyl)-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate
SMILESCOC(=O)C1=CON2C(C)(C)C(C)(C)NC12C(F)(F)F
InChIInChI=1S/C12H17F3N2O3/c1-9(2)10(3,4)17-11(16-9,12(13,14)15)7(6-20-17)8(18)19-5/h6,16H,1-5H3
InChIKeyAIGNSCUBUZNUHI-UHFFFAOYSA-N
XLogP1.71
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2,2,3,3-tetramethyl-7a-(trifluoromethyl)-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate with MolForge

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Related Compounds

ethyl 2,2,3,3,7a-pentamethyl-6-(trifluoromethyl)-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate
CID 11537083
methyl 2,2,3,3,7a-pentamethyl-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate
CID 11644394
Methyl 1,2,2,3,3,7a-hexamethylimidazo[1,2-b][1,2]oxazole-7-carboxylate
CID 11521686
methyl 7a-tert-butyl-2,2,3,3-tetramethyl-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate
CID 11594367

Frequently Asked Questions

What is the IUPAC name of methyl 2,2,3,3-tetramethyl-7a-(trifluoromethyl)-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate?
The IUPAC name of methyl 2,2,3,3-tetramethyl-7a-(trifluoromethyl)-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate (CID 11558400) is methyl 2,2,3,3-tetramethyl-7a-(trifluoromethyl)-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate.
What is the SMILES notation for methyl 2,2,3,3-tetramethyl-7a-(trifluoromethyl)-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate?
The canonical SMILES for methyl 2,2,3,3-tetramethyl-7a-(trifluoromethyl)-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate is COC(=O)C1=CON2C(C)(C)C(C)(C)NC12C(F)(F)F.
What is the InChIKey of methyl 2,2,3,3-tetramethyl-7a-(trifluoromethyl)-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate?
The InChIKey is AIGNSCUBUZNUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O3/c1-9(2)10(3,4)17-11(16-9,12(13,14)15)7(6-20-17)8(18)19-5/h6,16H,1-5H3.
What are the key properties of methyl 2,2,3,3-tetramethyl-7a-(trifluoromethyl)-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate?
methyl 2,2,3,3-tetramethyl-7a-(trifluoromethyl)-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate has a molecular weight of 294.27 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2,3,3-tetramethyl-7a-(trifluoromethyl)-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate is sourced from PubChem (CID 11558400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).