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

C17H28N2O5 — CID 11501007

IUPACdimethyl 7a-tert-butyl-2,2,3,3-tetramethyl-1H-imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2(C(C)(C)C)NC(C)(C)C(C)(C)N2O1
InChIInChI=1S/C17H28N2O5/c1-14(2,3)17-10(12(20)22-8)11(13(21)23-9)24-19(17)16(6,7)15(4,5)18-17/h18H,1-9H3
InChIKeyYKYLQMSNUMHYGZ-UHFFFAOYSA-N
MW340.42 g/mol
LogP1.74
Rot. Bonds2

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

dimethyl 7a-tert-butyl-2,2,3,3-tetramethyl-1H-imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate (PubChem CID 11501007) has the molecular formula C17H28N2O5 and a molecular weight of 340.42 g/mol. Its IUPAC name is dimethyl 7a-tert-butyl-2,2,3,3-tetramethyl-1H-imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate.

Molecular Properties

Compound Namedimethyl 7a-tert-butyl-2,2,3,3-tetramethyl-1H-imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate
PubChem CID11501007
Molecular FormulaC17H28N2O5
Molecular Weight340.42 g/mol
Exact Mass340.20
IUPAC Namedimethyl 7a-tert-butyl-2,2,3,3-tetramethyl-1H-imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2(C(C)(C)C)NC(C)(C)C(C)(C)N2O1
InChIInChI=1S/C17H28N2O5/c1-14(2,3)17-10(12(20)22-8)11(13(21)23-9)24-19(17)16(6,7)15(4,5)18-17/h18H,1-9H3
InChIKeyYKYLQMSNUMHYGZ-UHFFFAOYSA-N
XLogP1.74
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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

Frequently Asked Questions

What is the IUPAC name of dimethyl 7a-tert-butyl-2,2,3,3-tetramethyl-1H-imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate?
The IUPAC name of dimethyl 7a-tert-butyl-2,2,3,3-tetramethyl-1H-imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate (CID 11501007) is dimethyl 7a-tert-butyl-2,2,3,3-tetramethyl-1H-imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate.
What is the SMILES notation for dimethyl 7a-tert-butyl-2,2,3,3-tetramethyl-1H-imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate?
The canonical SMILES for dimethyl 7a-tert-butyl-2,2,3,3-tetramethyl-1H-imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate is COC(=O)C1=C(C(=O)OC)C2(C(C)(C)C)NC(C)(C)C(C)(C)N2O1.
What is the InChIKey of dimethyl 7a-tert-butyl-2,2,3,3-tetramethyl-1H-imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate?
The InChIKey is YKYLQMSNUMHYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O5/c1-14(2,3)17-10(12(20)22-8)11(13(21)23-9)24-19(17)16(6,7)15(4,5)18-17/h18H,1-9H3.
What are the key properties of dimethyl 7a-tert-butyl-2,2,3,3-tetramethyl-1H-imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate?
dimethyl 7a-tert-butyl-2,2,3,3-tetramethyl-1H-imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate has a molecular weight of 340.42 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 7a-tert-butyl-2,2,3,3-tetramethyl-1H-imidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate is sourced from PubChem (CID 11501007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).