methyl 2,2,3,3,7a-pentamethyl-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate

C12H20N2O3 — CID 11644394

IUPACmethyl 2,2,3,3,7a-pentamethyl-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate
SMILESCOC(=O)C1=CON2C1(C)NC(C)(C)C2(C)C
InChIInChI=1S/C12H20N2O3/c1-10(2)11(3,4)14-12(5,13-10)8(7-17-14)9(15)16-6/h7,13H,1-6H3
InChIKeyHFJWSDGZOQNESA-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.17
Rot. Bonds1

About methyl 2,2,3,3,7a-pentamethyl-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate

methyl 2,2,3,3,7a-pentamethyl-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate (PubChem CID 11644394) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is methyl 2,2,3,3,7a-pentamethyl-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate.

Molecular Properties

Compound Namemethyl 2,2,3,3,7a-pentamethyl-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate
PubChem CID11644394
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Namemethyl 2,2,3,3,7a-pentamethyl-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate
SMILESCOC(=O)C1=CON2C1(C)NC(C)(C)C2(C)C
InChIInChI=1S/C12H20N2O3/c1-10(2)11(3,4)14-12(5,13-10)8(7-17-14)9(15)16-6/h7,13H,1-6H3
InChIKeyHFJWSDGZOQNESA-UHFFFAOYSA-N
XLogP1.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2,2,3,3,7a-pentamethyl-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2,2,3,3-tetramethyl-7a-(trifluoromethyl)-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate
CID 11558400
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 2,2,3,3,7a-pentamethyl-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate?
The IUPAC name of methyl 2,2,3,3,7a-pentamethyl-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate (CID 11644394) is methyl 2,2,3,3,7a-pentamethyl-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate.
What is the SMILES notation for methyl 2,2,3,3,7a-pentamethyl-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate?
The canonical SMILES for methyl 2,2,3,3,7a-pentamethyl-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate is COC(=O)C1=CON2C1(C)NC(C)(C)C2(C)C.
What is the InChIKey of methyl 2,2,3,3,7a-pentamethyl-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate?
The InChIKey is HFJWSDGZOQNESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-10(2)11(3,4)14-12(5,13-10)8(7-17-14)9(15)16-6/h7,13H,1-6H3.
What are the key properties of methyl 2,2,3,3,7a-pentamethyl-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate?
methyl 2,2,3,3,7a-pentamethyl-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate has a molecular weight of 240.30 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2,3,3,7a-pentamethyl-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate is sourced from PubChem (CID 11644394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).