dimethyl 2,2,3,3,7a-pentamethyl-1H-imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate

C14H22N2O5 — CID 11637977

IUPACdimethyl 2,2,3,3,7a-pentamethyl-1H-imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2(C)NC(C)(C)C(C)(C)N2O1
InChIInChI=1S/C14H22N2O5/c1-12(2)13(3,4)16-14(5,15-12)8(10(17)19-6)9(21-16)11(18)20-7/h15H,1-7H3
InChIKeyWTFXDNHHGJGPQH-UHFFFAOYSA-N
MW298.34 g/mol
LogP0.71
Rot. Bonds2

About dimethyl 2,2,3,3,7a-pentamethyl-1H-imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate

dimethyl 2,2,3,3,7a-pentamethyl-1H-imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate (PubChem CID 11637977) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is dimethyl 2,2,3,3,7a-pentamethyl-1H-imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,2,3,3,7a-pentamethyl-1H-imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate
PubChem CID11637977
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Namedimethyl 2,2,3,3,7a-pentamethyl-1H-imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2(C)NC(C)(C)C(C)(C)N2O1
InChIInChI=1S/C14H22N2O5/c1-12(2)13(3,4)16-14(5,15-12)8(10(17)19-6)9(21-16)11(18)20-7/h15H,1-7H3
InChIKeyWTFXDNHHGJGPQH-UHFFFAOYSA-N
XLogP0.71
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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 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 7a-tert-butyl-2,2,3,3-tetramethyl-1H-imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate
CID 11501007
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 2,2,3,3,7a-pentamethyl-1H-imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate?
The IUPAC name of dimethyl 2,2,3,3,7a-pentamethyl-1H-imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate (CID 11637977) is dimethyl 2,2,3,3,7a-pentamethyl-1H-imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate.
What is the SMILES notation for dimethyl 2,2,3,3,7a-pentamethyl-1H-imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate?
The canonical SMILES for dimethyl 2,2,3,3,7a-pentamethyl-1H-imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate is COC(=O)C1=C(C(=O)OC)C2(C)NC(C)(C)C(C)(C)N2O1.
What is the InChIKey of dimethyl 2,2,3,3,7a-pentamethyl-1H-imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate?
The InChIKey is WTFXDNHHGJGPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-12(2)13(3,4)16-14(5,15-12)8(10(17)19-6)9(21-16)11(18)20-7/h15H,1-7H3.
What are the key properties of dimethyl 2,2,3,3,7a-pentamethyl-1H-imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate?
dimethyl 2,2,3,3,7a-pentamethyl-1H-imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate has a molecular weight of 298.34 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,2,3,3,7a-pentamethyl-1H-imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate is sourced from PubChem (CID 11637977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).