methyl 1,2,2,3,3,7a-hexamethylimidazo[1,2-b][1,2]oxazole-7-carboxylate

C13H22N2O3 — CID 11521686

IUPACmethyl 1,2,2,3,3,7a-hexamethylimidazo[1,2-b][1,2]oxazole-7-carboxylate
SMILESCOC(=O)C1=CON2C1(C)N(C)C(C)(C)C2(C)C
InChIInChI=1S/C13H22N2O3/c1-11(2)12(3,4)15-13(5,14(11)6)9(8-18-15)10(16)17-7/h8H,1-7H3
InChIKeyQAKHZPXVPUKEQA-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.51
Rot. Bonds1

About methyl 1,2,2,3,3,7a-hexamethylimidazo[1,2-b][1,2]oxazole-7-carboxylate

methyl 1,2,2,3,3,7a-hexamethylimidazo[1,2-b][1,2]oxazole-7-carboxylate (PubChem CID 11521686) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is methyl 1,2,2,3,3,7a-hexamethylimidazo[1,2-b][1,2]oxazole-7-carboxylate.

Molecular Properties

Compound Namemethyl 1,2,2,3,3,7a-hexamethylimidazo[1,2-b][1,2]oxazole-7-carboxylate
PubChem CID11521686
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Namemethyl 1,2,2,3,3,7a-hexamethylimidazo[1,2-b][1,2]oxazole-7-carboxylate
SMILESCOC(=O)C1=CON2C1(C)N(C)C(C)(C)C2(C)C
InChIInChI=1S/C13H22N2O3/c1-11(2)12(3,4)15-13(5,14(11)6)9(8-18-15)10(16)17-7/h8H,1-7H3
InChIKeyQAKHZPXVPUKEQA-UHFFFAOYSA-N
XLogP1.51
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2,2,3,3-tetramethyl-7a-(trifluoromethyl)-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate
CID 11558400
methyl 2,2,3,3,7a-pentamethyl-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate
CID 11644394
Methyl 7a-tert-butyl-1,2,2,3,3-pentamethylimidazo[1,2-b][1,2]oxazole-7-carboxylate
CID 11493107

Frequently Asked Questions

What is the IUPAC name of methyl 1,2,2,3,3,7a-hexamethylimidazo[1,2-b][1,2]oxazole-7-carboxylate?
The IUPAC name of methyl 1,2,2,3,3,7a-hexamethylimidazo[1,2-b][1,2]oxazole-7-carboxylate (CID 11521686) is methyl 1,2,2,3,3,7a-hexamethylimidazo[1,2-b][1,2]oxazole-7-carboxylate.
What is the SMILES notation for methyl 1,2,2,3,3,7a-hexamethylimidazo[1,2-b][1,2]oxazole-7-carboxylate?
The canonical SMILES for methyl 1,2,2,3,3,7a-hexamethylimidazo[1,2-b][1,2]oxazole-7-carboxylate is COC(=O)C1=CON2C1(C)N(C)C(C)(C)C2(C)C.
What is the InChIKey of methyl 1,2,2,3,3,7a-hexamethylimidazo[1,2-b][1,2]oxazole-7-carboxylate?
The InChIKey is QAKHZPXVPUKEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-11(2)12(3,4)15-13(5,14(11)6)9(8-18-15)10(16)17-7/h8H,1-7H3.
What are the key properties of methyl 1,2,2,3,3,7a-hexamethylimidazo[1,2-b][1,2]oxazole-7-carboxylate?
methyl 1,2,2,3,3,7a-hexamethylimidazo[1,2-b][1,2]oxazole-7-carboxylate has a molecular weight of 254.33 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,2,2,3,3,7a-hexamethylimidazo[1,2-b][1,2]oxazole-7-carboxylate is sourced from PubChem (CID 11521686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).