5-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole

C22H36N4O2 — CID 159672654

IUPAC5-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole
SMILESCC(C)(C)c1cnco1.CC(C)(C)c1ncco1.Cn1cncc1C(C)(C)C
InChIInChI=1S/C8H14N2.2C7H11NO/c1-8(2,3)7-5-9-6-10(7)4;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6/h5-6H,1-4H3;2*4-5H,1-3H3
InChIKeyMUEROQRGUREWRM-UHFFFAOYSA-N
MW388.56 g/mol
LogP5.66
Rot. Bonds

About 5-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole

5-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole (PubChem CID 159672654) has the molecular formula C22H36N4O2 and a molecular weight of 388.56 g/mol. Its IUPAC name is 5-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole
PubChem CID159672654
Molecular FormulaC22H36N4O2
Molecular Weight388.56 g/mol
Exact Mass388.28
IUPAC Name5-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole
SMILESCC(C)(C)c1cnco1.CC(C)(C)c1ncco1.Cn1cncc1C(C)(C)C
InChIInChI=1S/C8H14N2.2C7H11NO/c1-8(2,3)7-5-9-6-10(7)4;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6/h5-6H,1-4H3;2*4-5H,1-3H3
InChIKeyMUEROQRGUREWRM-UHFFFAOYSA-N
XLogP5.66
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.56
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole?
The IUPAC name of 5-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole (CID 159672654) is 5-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole is CC(C)(C)c1cnco1.CC(C)(C)c1ncco1.Cn1cncc1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole?
The InChIKey is MUEROQRGUREWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.2C7H11NO/c1-8(2,3)7-5-9-6-10(7)4;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6/h5-6H,1-4H3;2*4-5H,1-3H3.
What are the key properties of 5-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole?
5-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole has a molecular weight of 388.56 g/mol, XLogP of 5.66, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole is sourced from PubChem (CID 159672654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).