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

C40H68N12O2 — CID 158464307

IUPACbis(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
SMILESCC(C)(C)c1cn[nH]n1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnco1.CC(C)(C)c1ncco1.CC(C)(C)c1ncn[nH]1
InChIInChI=1S/2C7H12N2.2C7H11NO.2C6H11N3/c3*1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5;1-6(2,3)5-4-7-9-8-5/h2*4-5H,1-3H3,(H,8,9);2*4-5H,1-3H3;2*4H,1-3H3,(H,7,8,9)
InChIKeyHFOIFJFHHNGCOU-UHFFFAOYSA-N
MW749.07 g/mol
LogP9.56
Rot. Bonds

About 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

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 (PubChem CID 158464307) has the molecular formula C40H68N12O2 and a molecular weight of 749.07 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebis(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
PubChem CID158464307
Molecular FormulaC40H68N12O2
Molecular Weight749.07 g/mol
Exact Mass748.56
IUPAC Namebis(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
SMILESCC(C)(C)c1cn[nH]n1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnco1.CC(C)(C)c1ncco1.CC(C)(C)c1ncn[nH]1
InChIInChI=1S/2C7H12N2.2C7H11NO.2C6H11N3/c3*1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5;1-6(2,3)5-4-7-9-8-5/h2*4-5H,1-3H3,(H,8,9);2*4-5H,1-3H3;2*4H,1-3H3,(H,7,8,9)
InChIKeyHFOIFJFHHNGCOU-UHFFFAOYSA-N
XLogP9.56
TPSA192.56 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.07
LogP ≤ 59.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;methane
CID 158319908
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
3-methyl-4-propan-2-yl-1,4-dihydropyrazol-5-one;bis(2-methyl-5-propan-2-yltetrazole);2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one;5-propan-2-yl-3H-1,3,4-oxadiazol-2-one;4-propan-2-yl-5H-1,2,3,5-oxathiadiazole 2-oxide;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2H-tetrazole;3-propan-2-yl-4H-1,2,4-thiadiazol-5-one;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole
CID 160106033
5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;methane;5-methyl-1H-imidazole;5-methyl-1,3-oxazole;tetrakis(2-methylpropane);4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole
CID 161400441
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
1-tert-butylimidazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;1-tert-butyltetrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;ethane
CID 162245680
1-tert-butylimidazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;1-tert-butyltetrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;ethane;methane
CID 168395082

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnco1.CC(C)(C)c1ncco1.CC(C)(C)c1ncn[nH]1.
What is the InChIKey of 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?
The InChIKey is HFOIFJFHHNGCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H12N2.2C7H11NO.2C6H11N3/c3*1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5;1-6(2,3)5-4-7-9-8-5/h2*4-5H,1-3H3,(H,8,9);2*4-5H,1-3H3;2*4H,1-3H3,(H,7,8,9).
What are the key properties of 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?
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 has a molecular weight of 749.07 g/mol, XLogP of 9.56, 0 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158464307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).