methyl 2,2,3,3-tetramethyl-6-phenyl-7a-[(E)-2-phenylethenyl]-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate

C25H28N2O3 — CID 102176994

IUPACmethyl 2,2,3,3-tetramethyl-6-phenyl-7a-[(E)-2-phenylethenyl]-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate
SMILESCOC(=O)C1=C(c2ccccc2)ON2C1(/C=C/c1ccccc1)NC(C)(C)C2(C)C
InChIInChI=1S/C25H28N2O3/c1-23(2)24(3,4)27-25(26-23,17-16-18-12-8-6-9-13-18)20(22(28)29-5)21(30-27)19-14-10-7-11-15-19/h6-17,26H,1-5H3/b17-16+
InChIKeyIJPBSZNXVZWICO-WUKNDPDISA-N
MW404.51 g/mol
LogP4.39
Rot. Bonds4

About methyl 2,2,3,3-tetramethyl-6-phenyl-7a-[(E)-2-phenylethenyl]-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate

methyl 2,2,3,3-tetramethyl-6-phenyl-7a-[(E)-2-phenylethenyl]-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate (PubChem CID 102176994) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is methyl 2,2,3,3-tetramethyl-6-phenyl-7a-[(E)-2-phenylethenyl]-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate.

Molecular Properties

Compound Namemethyl 2,2,3,3-tetramethyl-6-phenyl-7a-[(E)-2-phenylethenyl]-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate
PubChem CID102176994
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Namemethyl 2,2,3,3-tetramethyl-6-phenyl-7a-[(E)-2-phenylethenyl]-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate
SMILESCOC(=O)C1=C(c2ccccc2)ON2C1(/C=C/c1ccccc1)NC(C)(C)C2(C)C
InChIInChI=1S/C25H28N2O3/c1-23(2)24(3,4)27-25(26-23,17-16-18-12-8-6-9-13-18)20(22(28)29-5)21(30-27)19-14-10-7-11-15-19/h6-17,26H,1-5H3/b17-16+
InChIKeyIJPBSZNXVZWICO-WUKNDPDISA-N
XLogP4.39
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2,2,3,3-tetramethyl-6-phenyl-7a-[(E)-2-phenylethenyl]-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate with MolForge

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Related Compounds

dimethyl 1,4-dimethyl-5,6-diphenylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
CID 13237280
methyl 2-amino-5-(2-phenylethenyl)benzoate
CID 70119663
methyl (2Z)-2-(2-methoxy-2-oxoethylidene)-4-phenyl-3H-1,3-thiazole-5-carboxylate
CID 135083276
methyl (2S)-6-oxo-4-phenyl-2-[(E)-2-phenylethenyl]-3H-pyran-2-carboxylate
CID 138979264
2-methyl-2-[(E)-2-phenylethenyl]phenanthro[9,10-d][1,3]dioxole
CID 177393506
methyl 5,5-dimethyl-4-methylidene-2-phenylfuran-3-carboxylate
CID 71506732
methyl 5-methyl-2-(2-phenylethenyl)-1,3-oxazole-4-carboxylate
CID 139896442
methyl 5-cyano-4,6-diphenyl-2-[(E)-1-phenylprop-1-en-2-yl]-4H-pyran-3-carboxylate
CID 10622666
3-O-methyl 5-O-(3-phenylprop-2-enyl) 4-(2-cyanophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 67937132
methyl 5-(4-methoxyphenyl)-2,3a-diphenyl-4,6-dihydroimidazo[1,5-b][1,2]oxazole-3-carboxylate
CID 11270306
dimethyl 2-phenyl-5-[(E)-2-phenylethenyl]benzene-1,4-dicarboxylate
CID 134959139
dimethyl benzene-1,2-dicarboxylate;methyl (E)-3-phenylprop-2-enoate
CID 19966781

Frequently Asked Questions

What is the IUPAC name of methyl 2,2,3,3-tetramethyl-6-phenyl-7a-[(E)-2-phenylethenyl]-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate?
The IUPAC name of methyl 2,2,3,3-tetramethyl-6-phenyl-7a-[(E)-2-phenylethenyl]-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate (CID 102176994) is methyl 2,2,3,3-tetramethyl-6-phenyl-7a-[(E)-2-phenylethenyl]-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate.
What is the SMILES notation for methyl 2,2,3,3-tetramethyl-6-phenyl-7a-[(E)-2-phenylethenyl]-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate?
The canonical SMILES for methyl 2,2,3,3-tetramethyl-6-phenyl-7a-[(E)-2-phenylethenyl]-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate is COC(=O)C1=C(c2ccccc2)ON2C1(/C=C/c1ccccc1)NC(C)(C)C2(C)C.
What is the InChIKey of methyl 2,2,3,3-tetramethyl-6-phenyl-7a-[(E)-2-phenylethenyl]-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate?
The InChIKey is IJPBSZNXVZWICO-WUKNDPDISA-N. The full InChI is InChI=1S/C25H28N2O3/c1-23(2)24(3,4)27-25(26-23,17-16-18-12-8-6-9-13-18)20(22(28)29-5)21(30-27)19-14-10-7-11-15-19/h6-17,26H,1-5H3/b17-16+.
What are the key properties of methyl 2,2,3,3-tetramethyl-6-phenyl-7a-[(E)-2-phenylethenyl]-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate?
methyl 2,2,3,3-tetramethyl-6-phenyl-7a-[(E)-2-phenylethenyl]-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate has a molecular weight of 404.51 g/mol, XLogP of 4.39, 4 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-tetramethyl-6-phenyl-7a-[(E)-2-phenylethenyl]-1H-imidazo[1,2-b][1,2]oxazole-7-carboxylate is sourced from PubChem (CID 102176994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).