methyl 7a-tert-butyl-1,2,2,3,3-pentamethylimidazo[1,2-b][1,2]oxazole-7-carboxylate

C16H28N2O3 — CID 11493107

IUPACmethyl 7a-tert-butyl-1,2,2,3,3-pentamethylimidazo[1,2-b][1,2]oxazole-7-carboxylate
SMILESCOC(=O)C1=CON2C(C)(C)C(C)(C)N(C)C12C(C)(C)C
InChIInChI=1S/C16H28N2O3/c1-13(2,3)16-11(12(19)20-9)10-21-18(16)15(6,7)14(4,5)17(16)8/h10H,1-9H3
InChIKeyIJKZQJVPSHQADL-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.54
Rot. Bonds1

About methyl 7a-tert-butyl-1,2,2,3,3-pentamethylimidazo[1,2-b][1,2]oxazole-7-carboxylate

methyl 7a-tert-butyl-1,2,2,3,3-pentamethylimidazo[1,2-b][1,2]oxazole-7-carboxylate (PubChem CID 11493107) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is methyl 7a-tert-butyl-1,2,2,3,3-pentamethylimidazo[1,2-b][1,2]oxazole-7-carboxylate.

Molecular Properties

Compound Namemethyl 7a-tert-butyl-1,2,2,3,3-pentamethylimidazo[1,2-b][1,2]oxazole-7-carboxylate
PubChem CID11493107
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Namemethyl 7a-tert-butyl-1,2,2,3,3-pentamethylimidazo[1,2-b][1,2]oxazole-7-carboxylate
SMILESCOC(=O)C1=CON2C(C)(C)C(C)(C)N(C)C12C(C)(C)C
InChIInChI=1S/C16H28N2O3/c1-13(2,3)16-11(12(19)20-9)10-21-18(16)15(6,7)14(4,5)17(16)8/h10H,1-9H3
InChIKeyIJKZQJVPSHQADL-UHFFFAOYSA-N
XLogP2.54
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 7a-tert-butyl-1,2,2,3,3-pentamethylimidazo[1,2-b][1,2]oxazole-7-carboxylate with MolForge

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Related Compounds

methyl 2,2,3,3,7a-pentamethyl-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate
CID 11644394
methyl 7-hydroxy-4,4-dimethyl-2-oxo-3H-chromene-5-carboxylate
CID 125426178
methyl (1R,4S,6S)-1,4,6-trimethyl-2,3,5-trioxabicyclo[2.2.2]oct-7-ene-8-carboxylate
CID 56641258
dimethyl 2-(2-methoxy-2-oxoethyl)-2,5-dimethylcyclohexa-3,6-diene-1,3-dicarboxylate
CID 90367564
methyl 2,2,5,5-tetramethyl-1-oxidopyrrole-3-carboxylate
CID 4651737
dimethyl (1S,6R)-7-methyl-7-(1-methylcycloprop-2-en-1-yl)-3,4-diazabicyclo[4.1.0]hepta-2,4-diene-2,5-dicarboxylate
CID 101162357
dimethyl (1R,5R)-1,5-dimethyltricyclo[3.3.0.02,8]octa-3,6-diene-2,6-dicarboxylate
CID 101100221
(3aS,6aR)-3-acetyl-4-(2,2-dimethylpropanoyl)-1,3a,6,6a-tetramethylimidazo[4,5-d]imidazole-2,5-dione
CID 10734773
methyl 3-bromo-1,4,7-trimethyl-7-azabicyclo[2.2.1]hepta-2,5-diene-2-carboxylate
CID 71215345
methyl 2,2-dimethyl-3-phenyl-3H-furan-4-carboxylate
CID 142911838
dimethyl (1R,4S)-1,2-dimethyl-3-oxo-2-azabicyclo[2.2.2]octa-5,7-diene-5,6-dicarboxylate
CID 101269112
dimethyl 9,9-dimethyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate
CID 177248605

Frequently Asked Questions

What is the IUPAC name of methyl 7a-tert-butyl-1,2,2,3,3-pentamethylimidazo[1,2-b][1,2]oxazole-7-carboxylate?
The IUPAC name of methyl 7a-tert-butyl-1,2,2,3,3-pentamethylimidazo[1,2-b][1,2]oxazole-7-carboxylate (CID 11493107) is methyl 7a-tert-butyl-1,2,2,3,3-pentamethylimidazo[1,2-b][1,2]oxazole-7-carboxylate.
What is the SMILES notation for methyl 7a-tert-butyl-1,2,2,3,3-pentamethylimidazo[1,2-b][1,2]oxazole-7-carboxylate?
The canonical SMILES for methyl 7a-tert-butyl-1,2,2,3,3-pentamethylimidazo[1,2-b][1,2]oxazole-7-carboxylate is COC(=O)C1=CON2C(C)(C)C(C)(C)N(C)C12C(C)(C)C.
What is the InChIKey of methyl 7a-tert-butyl-1,2,2,3,3-pentamethylimidazo[1,2-b][1,2]oxazole-7-carboxylate?
The InChIKey is IJKZQJVPSHQADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-13(2,3)16-11(12(19)20-9)10-21-18(16)15(6,7)14(4,5)17(16)8/h10H,1-9H3.
What are the key properties of methyl 7a-tert-butyl-1,2,2,3,3-pentamethylimidazo[1,2-b][1,2]oxazole-7-carboxylate?
methyl 7a-tert-butyl-1,2,2,3,3-pentamethylimidazo[1,2-b][1,2]oxazole-7-carboxylate has a molecular weight of 296.41 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7a-tert-butyl-1,2,2,3,3-pentamethylimidazo[1,2-b][1,2]oxazole-7-carboxylate is sourced from PubChem (CID 11493107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).