5-tert-butyl-1-methylimidazole;3-tert-butyl-4-methyl-1,2,4-triazole;5-tert-butyl-1-methyltriazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole

C36H62N10O2 — CID 159816209

IUPAC5-tert-butyl-1-methylimidazole;3-tert-butyl-4-methyl-1,2,4-triazole;5-tert-butyl-1-methyltriazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole
SMILESCC(C)(C)c1cnco1.CC(C)(C)c1ncco1.Cn1cncc1C(C)(C)C.Cn1cnnc1C(C)(C)C.Cn1nncc1C(C)(C)C
InChIInChI=1S/C8H14N2.2C7H13N3.2C7H11NO/c1-8(2,3)7-5-9-6-10(7)4;1-7(2,3)6-9-8-5-10(6)4;1-7(2,3)6-5-8-9-10(6)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*5H,1-4H3;2*4-5H,1-3H3
InChIKeyNLQOLFWPQNXLMD-UHFFFAOYSA-N
MW666.96 g/mol
LogP7.89
Rot. Bonds

About 5-tert-butyl-1-methylimidazole;3-tert-butyl-4-methyl-1,2,4-triazole;5-tert-butyl-1-methyltriazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole

5-tert-butyl-1-methylimidazole;3-tert-butyl-4-methyl-1,2,4-triazole;5-tert-butyl-1-methyltriazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole (PubChem CID 159816209) has the molecular formula C36H62N10O2 and a molecular weight of 666.96 g/mol. Its IUPAC name is 5-tert-butyl-1-methylimidazole;3-tert-butyl-4-methyl-1,2,4-triazole;5-tert-butyl-1-methyltriazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-1-methylimidazole;3-tert-butyl-4-methyl-1,2,4-triazole;5-tert-butyl-1-methyltriazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole
PubChem CID159816209
Molecular FormulaC36H62N10O2
Molecular Weight666.96 g/mol
Exact Mass666.51
IUPAC Name5-tert-butyl-1-methylimidazole;3-tert-butyl-4-methyl-1,2,4-triazole;5-tert-butyl-1-methyltriazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole
SMILESCC(C)(C)c1cnco1.CC(C)(C)c1ncco1.Cn1cncc1C(C)(C)C.Cn1cnnc1C(C)(C)C.Cn1nncc1C(C)(C)C
InChIInChI=1S/C8H14N2.2C7H13N3.2C7H11NO/c1-8(2,3)7-5-9-6-10(7)4;1-7(2,3)6-9-8-5-10(6)4;1-7(2,3)6-5-8-9-10(6)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*5H,1-4H3;2*4-5H,1-3H3
InChIKeyNLQOLFWPQNXLMD-UHFFFAOYSA-N
XLogP7.89
TPSA131.30 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500666.96
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 5-tert-butyl-1-methylimidazole;3-tert-butyl-4-methyl-1,2,4-triazole;5-tert-butyl-1-methyltriazole;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

Related Compounds

bis(5-tert-butyl-1H-imidazole);2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole
CID 158464307
1,4-Dimethylimidazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;1,3-dimethylpyrazole;1,3-dimethyl-1,2,4-triazole
CID 158771962
5-Tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole
CID 159672654
1,4-Ditert-butylimidazole;3,5-ditert-butyl-1,3,4-oxadiazol-3-ium;2,5-ditert-butyl-1,3-oxazole;2,5-ditert-butyltetrazole;2,5-ditert-butyl-1,3,4-thiadiazole;1,3-ditert-butyl-1,2,4-triazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole;methane
CID 160376472
5-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrrole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole
CID 161691119
bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole
CID 164174429

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-methylimidazole;3-tert-butyl-4-methyl-1,2,4-triazole;5-tert-butyl-1-methyltriazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole?
The IUPAC name of 5-tert-butyl-1-methylimidazole;3-tert-butyl-4-methyl-1,2,4-triazole;5-tert-butyl-1-methyltriazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole (CID 159816209) is 5-tert-butyl-1-methylimidazole;3-tert-butyl-4-methyl-1,2,4-triazole;5-tert-butyl-1-methyltriazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-1-methylimidazole;3-tert-butyl-4-methyl-1,2,4-triazole;5-tert-butyl-1-methyltriazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-1-methylimidazole;3-tert-butyl-4-methyl-1,2,4-triazole;5-tert-butyl-1-methyltriazole;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.Cn1cnnc1C(C)(C)C.Cn1nncc1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-1-methylimidazole;3-tert-butyl-4-methyl-1,2,4-triazole;5-tert-butyl-1-methyltriazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole?
The InChIKey is NLQOLFWPQNXLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.2C7H13N3.2C7H11NO/c1-8(2,3)7-5-9-6-10(7)4;1-7(2,3)6-9-8-5-10(6)4;1-7(2,3)6-5-8-9-10(6)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*5H,1-4H3;2*4-5H,1-3H3.
What are the key properties of 5-tert-butyl-1-methylimidazole;3-tert-butyl-4-methyl-1,2,4-triazole;5-tert-butyl-1-methyltriazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole?
5-tert-butyl-1-methylimidazole;3-tert-butyl-4-methyl-1,2,4-triazole;5-tert-butyl-1-methyltriazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole has a molecular weight of 666.96 g/mol, XLogP of 7.89, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-methylimidazole;3-tert-butyl-4-methyl-1,2,4-triazole;5-tert-butyl-1-methyltriazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole is sourced from PubChem (CID 159816209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).