dimethyl 1-hydroxy-2,2,3,3-tetramethyl-7a-(trifluoromethyl)imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate

C14H19F3N2O6 — CID 11660660

IUPACdimethyl 1-hydroxy-2,2,3,3-tetramethyl-7a-(trifluoromethyl)imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2(C(F)(F)F)N(O)C(C)(C)C(C)(C)N2O1
InChIInChI=1S/C14H19F3N2O6/c1-11(2)12(3,4)19-13(18(11)22,14(15,16)17)7(9(20)23-5)8(25-19)10(21)24-6/h22H,1-6H3
InChIKeyJMMJYFGTHDWAFI-UHFFFAOYSA-N
MW368.31 g/mol
LogP1.35
Rot. Bonds2

About dimethyl 1-hydroxy-2,2,3,3-tetramethyl-7a-(trifluoromethyl)imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate

dimethyl 1-hydroxy-2,2,3,3-tetramethyl-7a-(trifluoromethyl)imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate (PubChem CID 11660660) has the molecular formula C14H19F3N2O6 and a molecular weight of 368.31 g/mol. Its IUPAC name is dimethyl 1-hydroxy-2,2,3,3-tetramethyl-7a-(trifluoromethyl)imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-hydroxy-2,2,3,3-tetramethyl-7a-(trifluoromethyl)imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate
PubChem CID11660660
Molecular FormulaC14H19F3N2O6
Molecular Weight368.31 g/mol
Exact Mass368.12
IUPAC Namedimethyl 1-hydroxy-2,2,3,3-tetramethyl-7a-(trifluoromethyl)imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2(C(F)(F)F)N(O)C(C)(C)C(C)(C)N2O1
InChIInChI=1S/C14H19F3N2O6/c1-11(2)12(3,4)19-13(18(11)22,14(15,16)17)7(9(20)23-5)8(25-19)10(21)24-6/h22H,1-6H3
InChIKeyJMMJYFGTHDWAFI-UHFFFAOYSA-N
XLogP1.35
TPSA88.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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
dimethyl 2,2,3,3-tetramethyl-7a-(trifluoromethyl)-1H-imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate
CID 11681860
dimethyl 2,2,3,3,7a-pentamethyl-1H-imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate
CID 11637977
Dimethyl 1,2,2,3,3,7a-hexamethylimidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate
CID 11695310

Frequently Asked Questions

What is the IUPAC name of dimethyl 1-hydroxy-2,2,3,3-tetramethyl-7a-(trifluoromethyl)imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate?
The IUPAC name of dimethyl 1-hydroxy-2,2,3,3-tetramethyl-7a-(trifluoromethyl)imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate (CID 11660660) is dimethyl 1-hydroxy-2,2,3,3-tetramethyl-7a-(trifluoromethyl)imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate.
What is the SMILES notation for dimethyl 1-hydroxy-2,2,3,3-tetramethyl-7a-(trifluoromethyl)imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate?
The canonical SMILES for dimethyl 1-hydroxy-2,2,3,3-tetramethyl-7a-(trifluoromethyl)imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate is COC(=O)C1=C(C(=O)OC)C2(C(F)(F)F)N(O)C(C)(C)C(C)(C)N2O1.
What is the InChIKey of dimethyl 1-hydroxy-2,2,3,3-tetramethyl-7a-(trifluoromethyl)imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate?
The InChIKey is JMMJYFGTHDWAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O6/c1-11(2)12(3,4)19-13(18(11)22,14(15,16)17)7(9(20)23-5)8(25-19)10(21)24-6/h22H,1-6H3.
What are the key properties of dimethyl 1-hydroxy-2,2,3,3-tetramethyl-7a-(trifluoromethyl)imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate?
dimethyl 1-hydroxy-2,2,3,3-tetramethyl-7a-(trifluoromethyl)imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate has a molecular weight of 368.31 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-hydroxy-2,2,3,3-tetramethyl-7a-(trifluoromethyl)imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate is sourced from PubChem (CID 11660660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).