dimethyl 1,2,2,3,3,7a-hexamethylimidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate

C15H24N2O5 — CID 11695310

IUPACdimethyl 1,2,2,3,3,7a-hexamethylimidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2(C)N(C)C(C)(C)C(C)(C)N2O1
InChIInChI=1S/C15H24N2O5/c1-13(2)14(3,4)17-15(5,16(13)6)9(11(18)20-7)10(22-17)12(19)21-8/h1-8H3
InChIKeyCIUAMXJZYDBKCQ-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.05
Rot. Bonds2

About dimethyl 1,2,2,3,3,7a-hexamethylimidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate

dimethyl 1,2,2,3,3,7a-hexamethylimidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate (PubChem CID 11695310) has the molecular formula C15H24N2O5 and a molecular weight of 312.37 g/mol. Its IUPAC name is dimethyl 1,2,2,3,3,7a-hexamethylimidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1,2,2,3,3,7a-hexamethylimidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate
PubChem CID11695310
Molecular FormulaC15H24N2O5
Molecular Weight312.37 g/mol
Exact Mass312.17
IUPAC Namedimethyl 1,2,2,3,3,7a-hexamethylimidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2(C)N(C)C(C)(C)C(C)(C)N2O1
InChIInChI=1S/C15H24N2O5/c1-13(2)14(3,4)17-15(5,16(13)6)9(11(18)20-7)10(22-17)12(19)21-8/h1-8H3
InChIKeyCIUAMXJZYDBKCQ-UHFFFAOYSA-N
XLogP1.05
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Dimethyl 1-hydroxy-2,2,3,3-tetramethyl-7a-(trifluoromethyl)imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate
CID 11660660
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-hydroxy-2,2,3,3-tetramethyl-7aH-imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate
CID 21861705

Frequently Asked Questions

What is the IUPAC name of dimethyl 1,2,2,3,3,7a-hexamethylimidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate?
The IUPAC name of dimethyl 1,2,2,3,3,7a-hexamethylimidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate (CID 11695310) is dimethyl 1,2,2,3,3,7a-hexamethylimidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate.
What is the SMILES notation for dimethyl 1,2,2,3,3,7a-hexamethylimidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate?
The canonical SMILES for dimethyl 1,2,2,3,3,7a-hexamethylimidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate is COC(=O)C1=C(C(=O)OC)C2(C)N(C)C(C)(C)C(C)(C)N2O1.
What is the InChIKey of dimethyl 1,2,2,3,3,7a-hexamethylimidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate?
The InChIKey is CIUAMXJZYDBKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5/c1-13(2)14(3,4)17-15(5,16(13)6)9(11(18)20-7)10(22-17)12(19)21-8/h1-8H3.
What are the key properties of dimethyl 1,2,2,3,3,7a-hexamethylimidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate?
dimethyl 1,2,2,3,3,7a-hexamethylimidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate has a molecular weight of 312.37 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1,2,2,3,3,7a-hexamethylimidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate is sourced from PubChem (CID 11695310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).