ethyl 2,2,3,3,7a-pentamethyl-6-(trifluoromethyl)-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate

C14H21F3N2O3 — CID 11537083

IUPACethyl 2,2,3,3,7a-pentamethyl-6-(trifluoromethyl)-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate
SMILESCCOC(=O)C1=C(C(F)(F)F)ON2C1(C)NC(C)(C)C2(C)C
InChIInChI=1S/C14H21F3N2O3/c1-7-21-10(20)8-9(14(15,16)17)22-19-12(4,5)11(2,3)18-13(8,19)6/h18H,7H2,1-6H3
InChIKeyNOOPNGJZXDRUKN-UHFFFAOYSA-N
MW322.33 g/mol
LogP2.49
Rot. Bonds2

About ethyl 2,2,3,3,7a-pentamethyl-6-(trifluoromethyl)-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate

ethyl 2,2,3,3,7a-pentamethyl-6-(trifluoromethyl)-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate (PubChem CID 11537083) has the molecular formula C14H21F3N2O3 and a molecular weight of 322.33 g/mol. Its IUPAC name is ethyl 2,2,3,3,7a-pentamethyl-6-(trifluoromethyl)-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate.

Molecular Properties

Compound Nameethyl 2,2,3,3,7a-pentamethyl-6-(trifluoromethyl)-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate
PubChem CID11537083
Molecular FormulaC14H21F3N2O3
Molecular Weight322.33 g/mol
Exact Mass322.15
IUPAC Nameethyl 2,2,3,3,7a-pentamethyl-6-(trifluoromethyl)-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate
SMILESCCOC(=O)C1=C(C(F)(F)F)ON2C1(C)NC(C)(C)C2(C)C
InChIInChI=1S/C14H21F3N2O3/c1-7-21-10(20)8-9(14(15,16)17)22-19-12(4,5)11(2,3)18-13(8,19)6/h18H,7H2,1-6H3
InChIKeyNOOPNGJZXDRUKN-UHFFFAOYSA-N
XLogP2.49
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2,2,3,3,7a-pentamethyl-6-(trifluoromethyl)-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate with MolForge

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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
methyl 2,2,3,3-tetramethyl-7a-(trifluoromethyl)-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate
CID 11558400
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 ethyl 2,2,3,3,7a-pentamethyl-6-(trifluoromethyl)-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate?
The IUPAC name of ethyl 2,2,3,3,7a-pentamethyl-6-(trifluoromethyl)-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate (CID 11537083) is ethyl 2,2,3,3,7a-pentamethyl-6-(trifluoromethyl)-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate.
What is the SMILES notation for ethyl 2,2,3,3,7a-pentamethyl-6-(trifluoromethyl)-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate?
The canonical SMILES for ethyl 2,2,3,3,7a-pentamethyl-6-(trifluoromethyl)-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate is CCOC(=O)C1=C(C(F)(F)F)ON2C1(C)NC(C)(C)C2(C)C.
What is the InChIKey of ethyl 2,2,3,3,7a-pentamethyl-6-(trifluoromethyl)-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate?
The InChIKey is NOOPNGJZXDRUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O3/c1-7-21-10(20)8-9(14(15,16)17)22-19-12(4,5)11(2,3)18-13(8,19)6/h18H,7H2,1-6H3.
What are the key properties of ethyl 2,2,3,3,7a-pentamethyl-6-(trifluoromethyl)-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate?
ethyl 2,2,3,3,7a-pentamethyl-6-(trifluoromethyl)-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate has a molecular weight of 322.33 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2,3,3,7a-pentamethyl-6-(trifluoromethyl)-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate is sourced from PubChem (CID 11537083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).