1,4-ditert-butylimidazole;1,4-ditert-butyl-2-methylimidazole;1,4-ditert-butyl-5-methylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;bis(2,5-ditert-butyl-1,3-oxazole);1,4-ditert-butylpyrazole;bis(1,3-ditert-butylpyrrole);2,5-ditert-butyltetrazole

C122H219N19O4 — CID 157138620

IUPAC1,4-ditert-butylimidazole;1,4-ditert-butyl-2-methylimidazole;1,4-ditert-butyl-5-methylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;bis(2,5-ditert-butyl-1,3-oxazole);1,4-ditert-butylpyrazole;bis(1,3-ditert-butylpyrrole);2,5-ditert-butyltetrazole
SMILESCC(C)(C)c1ccn(C(C)(C)C)c1.CC(C)(C)c1ccn(C(C)(C)C)c1.CC(C)(C)c1cn(C(C)(C)C)cn1.CC(C)(C)c1cnc(C(C)(C)C)o1.CC(C)(C)c1cnc(C(C)(C)C)o1.CC(C)(C)c1cnn(C(C)(C)C)c1.CC(C)(C)c1coc(C(C)(C)C)n1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1nnn(C(C)(C)C)n1.Cc1c(C(C)(C)C)ncn1C(C)(C)C.Cc1nc(C(C)(C)C)cn1C(C)(C)C
InChIInChI=1S/2C12H22N2.2C12H21N.2C11H20N2.3C11H19NO.C10H18N2O.C9H18N4/c1-9-10(11(2,3)4)13-8-14(9)12(5,6)7;1-9-13-10(11(2,3)4)8-14(9)12(5,6)7;2*1-11(2,3)10-7-8-13(9-10)12(4,5)6;1-10(2,3)9-7-13(8-12-9)11(4,5)6;1-10(2,3)9-7-12-13(8-9)11(4,5)6;1-10(2,3)8-7-13-9(12-8)11(4,5)6;2*1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-9(2,3)7-11-12-8(13-7)10(4,5)6;1-8(2,3)7-10-12-13(11-7)9(4,5)6/h2*8H,1-7H3;2*7-9H,1-6H3;2*7-8H,1-6H3;3*7H,1-6H3;2*1-6H3
InChIKeyAJXQXZQBCPVWRG-UHFFFAOYSA-N
MW2016.22 g/mol
LogP33.64
Rot. Bonds

About 1,4-ditert-butylimidazole;1,4-ditert-butyl-2-methylimidazole;1,4-ditert-butyl-5-methylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;bis(2,5-ditert-butyl-1,3-oxazole);1,4-ditert-butylpyrazole;bis(1,3-ditert-butylpyrrole);2,5-ditert-butyltetrazole

1,4-ditert-butylimidazole;1,4-ditert-butyl-2-methylimidazole;1,4-ditert-butyl-5-methylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;bis(2,5-ditert-butyl-1,3-oxazole);1,4-ditert-butylpyrazole;bis(1,3-ditert-butylpyrrole);2,5-ditert-butyltetrazole (PubChem CID 157138620) has the molecular formula C122H219N19O4 and a molecular weight of 2016.22 g/mol. Its IUPAC name is 1,4-ditert-butylimidazole;1,4-ditert-butyl-2-methylimidazole;1,4-ditert-butyl-5-methylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;bis(2,5-ditert-butyl-1,3-oxazole);1,4-ditert-butylpyrazole;bis(1,3-ditert-butylpyrrole);2,5-ditert-butyltetrazole.

Molecular Properties

Compound Name1,4-ditert-butylimidazole;1,4-ditert-butyl-2-methylimidazole;1,4-ditert-butyl-5-methylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;bis(2,5-ditert-butyl-1,3-oxazole);1,4-ditert-butylpyrazole;bis(1,3-ditert-butylpyrrole);2,5-ditert-butyltetrazole
PubChem CID157138620
Molecular FormulaC122H219N19O4
Molecular Weight2016.22 g/mol
Exact Mass2014.75
IUPAC Name1,4-ditert-butylimidazole;1,4-ditert-butyl-2-methylimidazole;1,4-ditert-butyl-5-methylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;bis(2,5-ditert-butyl-1,3-oxazole);1,4-ditert-butylpyrazole;bis(1,3-ditert-butylpyrrole);2,5-ditert-butyltetrazole
SMILESCC(C)(C)c1ccn(C(C)(C)C)c1.CC(C)(C)c1ccn(C(C)(C)C)c1.CC(C)(C)c1cn(C(C)(C)C)cn1.CC(C)(C)c1cnc(C(C)(C)C)o1.CC(C)(C)c1cnc(C(C)(C)C)o1.CC(C)(C)c1cnn(C(C)(C)C)c1.CC(C)(C)c1coc(C(C)(C)C)n1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1nnn(C(C)(C)C)n1.Cc1c(C(C)(C)C)ncn1C(C)(C)C.Cc1nc(C(C)(C)C)cn1C(C)(C)C
InChIInChI=1S/2C12H22N2.2C12H21N.2C11H20N2.3C11H19NO.C10H18N2O.C9H18N4/c1-9-10(11(2,3)4)13-8-14(9)12(5,6)7;1-9-13-10(11(2,3)4)8-14(9)12(5,6)7;2*1-11(2,3)10-7-8-13(9-10)12(4,5)6;1-10(2,3)9-7-13(8-12-9)11(4,5)6;1-10(2,3)9-7-12-13(8-9)11(4,5)6;1-10(2,3)8-7-13-9(12-8)11(4,5)6;2*1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-9(2,3)7-11-12-8(13-7)10(4,5)6;1-8(2,3)7-10-12-13(11-7)9(4,5)6/h2*8H,1-7H3;2*7-9H,1-6H3;2*7-8H,1-6H3;3*7H,1-6H3;2*1-6H3
InChIKeyAJXQXZQBCPVWRG-UHFFFAOYSA-N
XLogP33.64
TPSA241.75 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002016.22
LogP ≤ 533.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 1,4-ditert-butylimidazole;1,4-ditert-butyl-2-methylimidazole;1,4-ditert-butyl-5-methylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;bis(2,5-ditert-butyl-1,3-oxazole);1,4-ditert-butylpyrazole;bis(1,3-ditert-butylpyrrole);2,5-ditert-butyltetrazole with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyl-1,2,4-triazole;bis(4-tert-butyl-2H-triazole);bis(5-tert-butyl-1H-1,2,4-triazole)
CID 157205327
2,4-Dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-oxazole;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 157904407
1-(3,3-Dimethylbutyl)imidazole;3-(2,2-dimethylpropyl)pyridine;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole;2-(2-methylpropyl)-1,3-oxazole
CID 157962019
1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-2H-triazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;methane;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;1-propan-2-ylpyrazole;1-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole
CID 158305965
2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole
CID 158360371
1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-2H-triazole;5-tert-butyl-3H-1,2,4-triazole;5-tert-butyl-4H-triazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;1-propan-2-ylpyrazole;1-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole
CID 158438079
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
2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyl-1,2,4-triazole;bis(4-tert-butyl-2H-triazole);bis(5-tert-butyl-1H-1,2,4-triazole)
CID 159295876
1-Methyl-5-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-ylcyclopenta-1,3-diene;1-propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole
CID 159773721
1-(3,3-Dimethylbutyl)imidazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;3-(2,2-dimethylpropyl)pyridine;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;2-(2-methylpropyl)-1,3-oxazole
CID 160051973
2,4-Dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 160974729
1-tert-butylimidazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butylpyridine;2-tert-butyl-3H-pyrrole;4-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyl-1,2,4-triazole;bis(4-tert-butyl-2H-triazole);bis(5-tert-butyl-1H-1,2,4-triazole)
CID 161743534

Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butylimidazole;1,4-ditert-butyl-2-methylimidazole;1,4-ditert-butyl-5-methylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;bis(2,5-ditert-butyl-1,3-oxazole);1,4-ditert-butylpyrazole;bis(1,3-ditert-butylpyrrole);2,5-ditert-butyltetrazole?
The IUPAC name of 1,4-ditert-butylimidazole;1,4-ditert-butyl-2-methylimidazole;1,4-ditert-butyl-5-methylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;bis(2,5-ditert-butyl-1,3-oxazole);1,4-ditert-butylpyrazole;bis(1,3-ditert-butylpyrrole);2,5-ditert-butyltetrazole (CID 157138620) is 1,4-ditert-butylimidazole;1,4-ditert-butyl-2-methylimidazole;1,4-ditert-butyl-5-methylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;bis(2,5-ditert-butyl-1,3-oxazole);1,4-ditert-butylpyrazole;bis(1,3-ditert-butylpyrrole);2,5-ditert-butyltetrazole.
What is the SMILES notation for 1,4-ditert-butylimidazole;1,4-ditert-butyl-2-methylimidazole;1,4-ditert-butyl-5-methylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;bis(2,5-ditert-butyl-1,3-oxazole);1,4-ditert-butylpyrazole;bis(1,3-ditert-butylpyrrole);2,5-ditert-butyltetrazole?
The canonical SMILES for 1,4-ditert-butylimidazole;1,4-ditert-butyl-2-methylimidazole;1,4-ditert-butyl-5-methylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;bis(2,5-ditert-butyl-1,3-oxazole);1,4-ditert-butylpyrazole;bis(1,3-ditert-butylpyrrole);2,5-ditert-butyltetrazole is CC(C)(C)c1ccn(C(C)(C)C)c1.CC(C)(C)c1ccn(C(C)(C)C)c1.CC(C)(C)c1cn(C(C)(C)C)cn1.CC(C)(C)c1cnc(C(C)(C)C)o1.CC(C)(C)c1cnc(C(C)(C)C)o1.CC(C)(C)c1cnn(C(C)(C)C)c1.CC(C)(C)c1coc(C(C)(C)C)n1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1nnn(C(C)(C)C)n1.Cc1c(C(C)(C)C)ncn1C(C)(C)C.Cc1nc(C(C)(C)C)cn1C(C)(C)C.
What is the InChIKey of 1,4-ditert-butylimidazole;1,4-ditert-butyl-2-methylimidazole;1,4-ditert-butyl-5-methylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;bis(2,5-ditert-butyl-1,3-oxazole);1,4-ditert-butylpyrazole;bis(1,3-ditert-butylpyrrole);2,5-ditert-butyltetrazole?
The InChIKey is AJXQXZQBCPVWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H22N2.2C12H21N.2C11H20N2.3C11H19NO.C10H18N2O.C9H18N4/c1-9-10(11(2,3)4)13-8-14(9)12(5,6)7;1-9-13-10(11(2,3)4)8-14(9)12(5,6)7;2*1-11(2,3)10-7-8-13(9-10)12(4,5)6;1-10(2,3)9-7-13(8-12-9)11(4,5)6;1-10(2,3)9-7-12-13(8-9)11(4,5)6;1-10(2,3)8-7-13-9(12-8)11(4,5)6;2*1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-9(2,3)7-11-12-8(13-7)10(4,5)6;1-8(2,3)7-10-12-13(11-7)9(4,5)6/h2*8H,1-7H3;2*7-9H,1-6H3;2*7-8H,1-6H3;3*7H,1-6H3;2*1-6H3.
What are the key properties of 1,4-ditert-butylimidazole;1,4-ditert-butyl-2-methylimidazole;1,4-ditert-butyl-5-methylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;bis(2,5-ditert-butyl-1,3-oxazole);1,4-ditert-butylpyrazole;bis(1,3-ditert-butylpyrrole);2,5-ditert-butyltetrazole?
1,4-ditert-butylimidazole;1,4-ditert-butyl-2-methylimidazole;1,4-ditert-butyl-5-methylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;bis(2,5-ditert-butyl-1,3-oxazole);1,4-ditert-butylpyrazole;bis(1,3-ditert-butylpyrrole);2,5-ditert-butyltetrazole has a molecular weight of 2016.22 g/mol, XLogP of 33.64, 0 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butylimidazole;1,4-ditert-butyl-2-methylimidazole;1,4-ditert-butyl-5-methylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,4-ditert-butyl-1,3-oxazole;bis(2,5-ditert-butyl-1,3-oxazole);1,4-ditert-butylpyrazole;bis(1,3-ditert-butylpyrrole);2,5-ditert-butyltetrazole is sourced from PubChem (CID 157138620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).