1-tert-butyl-4-propan-2-ylimidazole;1,4-ditert-butylbenzene;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;bis(2,5-ditert-butylpyridine);2,5-ditert-butyl-1,3,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole

C113H194N14O2S3 — CID 162111356

IUPAC1-tert-butyl-4-propan-2-ylimidazole;1,4-ditert-butylbenzene;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;bis(2,5-ditert-butylpyridine);2,5-ditert-butyl-1,3,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole
SMILESCC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1cn(C(C)(C)C)nn1.CC(C)(C)c1cnc(C(C)(C)C)s1.CC(C)(C)c1csc(C(C)(C)C)n1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1nnc(C(C)(C)C)s1.CC(C)c1cn(C(C)(C)C)cn1
InChIInChI=1S/C14H22.2C13H21N.C11H19NO.2C11H19NS.C10H19N3.C10H18N2O.C10H18N2S.C10H18N2/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;2*1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-10(2,3)8-7-13-9(12-8)11(4,5)6;1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-9(2,3)8-7-13(12-11-8)10(4,5)6;2*1-9(2,3)7-11-12-8(13-7)10(4,5)6;1-8(2)9-6-12(7-11-9)10(3,4)5/h7-10H,1-6H3;2*7-9H,1-6H3;4*7H,1-6H3;2*1-6H3;6-8H,1-5H3
InChIKeyZGESDLNRNNRCPY-UHFFFAOYSA-N
MW1877.09 g/mol
LogP33.27
Rot. Bonds1

About 1-tert-butyl-4-propan-2-ylimidazole;1,4-ditert-butylbenzene;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;bis(2,5-ditert-butylpyridine);2,5-ditert-butyl-1,3,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole

1-tert-butyl-4-propan-2-ylimidazole;1,4-ditert-butylbenzene;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;bis(2,5-ditert-butylpyridine);2,5-ditert-butyl-1,3,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole (PubChem CID 162111356) has the molecular formula C113H194N14O2S3 and a molecular weight of 1877.09 g/mol. Its IUPAC name is 1-tert-butyl-4-propan-2-ylimidazole;1,4-ditert-butylbenzene;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;bis(2,5-ditert-butylpyridine);2,5-ditert-butyl-1,3,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole.

Molecular Properties

Compound Name1-tert-butyl-4-propan-2-ylimidazole;1,4-ditert-butylbenzene;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;bis(2,5-ditert-butylpyridine);2,5-ditert-butyl-1,3,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole
PubChem CID162111356
Molecular FormulaC113H194N14O2S3
Molecular Weight1877.09 g/mol
Exact Mass1875.47
IUPAC Name1-tert-butyl-4-propan-2-ylimidazole;1,4-ditert-butylbenzene;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;bis(2,5-ditert-butylpyridine);2,5-ditert-butyl-1,3,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole
SMILESCC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1cn(C(C)(C)C)nn1.CC(C)(C)c1cnc(C(C)(C)C)s1.CC(C)(C)c1csc(C(C)(C)C)n1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1nnc(C(C)(C)C)s1.CC(C)c1cn(C(C)(C)C)cn1
InChIInChI=1S/C14H22.2C13H21N.C11H19NO.2C11H19NS.C10H19N3.C10H18N2O.C10H18N2S.C10H18N2/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;2*1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-10(2,3)8-7-13-9(12-8)11(4,5)6;1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-9(2,3)8-7-13(12-11-8)10(4,5)6;2*1-9(2,3)7-11-12-8(13-7)10(4,5)6;1-8(2)9-6-12(7-11-9)10(3,4)5/h7-10H,1-6H3;2*7-9H,1-6H3;4*7H,1-6H3;2*1-6H3;6-8H,1-5H3
InChIKeyZGESDLNRNNRCPY-UHFFFAOYSA-N
XLogP33.27
TPSA190.82 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds1
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001877.09
LogP ≤ 533.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 1-tert-butyl-4-propan-2-ylimidazole;1,4-ditert-butylbenzene;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;bis(2,5-ditert-butylpyridine);2,5-ditert-butyl-1,3,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole with MolForge

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Related Compounds

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CID 157809972
1-Tert-butylimidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;ethane
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3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,6-dimethyl-4-propan-2-ylpyridine;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;3-methyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2,4-oxadiazole);5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;bis(2-methyl-5-propan-2-ylpyrimidine);5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-methyl-4-propan-2-yltriazole;5-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-ylpyrimidine
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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-propan-2-ylimidazole;1,4-ditert-butylbenzene;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;bis(2,5-ditert-butylpyridine);2,5-ditert-butyl-1,3,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole?
The IUPAC name of 1-tert-butyl-4-propan-2-ylimidazole;1,4-ditert-butylbenzene;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;bis(2,5-ditert-butylpyridine);2,5-ditert-butyl-1,3,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole (CID 162111356) is 1-tert-butyl-4-propan-2-ylimidazole;1,4-ditert-butylbenzene;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;bis(2,5-ditert-butylpyridine);2,5-ditert-butyl-1,3,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole.
What is the SMILES notation for 1-tert-butyl-4-propan-2-ylimidazole;1,4-ditert-butylbenzene;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;bis(2,5-ditert-butylpyridine);2,5-ditert-butyl-1,3,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole?
The canonical SMILES for 1-tert-butyl-4-propan-2-ylimidazole;1,4-ditert-butylbenzene;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;bis(2,5-ditert-butylpyridine);2,5-ditert-butyl-1,3,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole is CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1cn(C(C)(C)C)nn1.CC(C)(C)c1cnc(C(C)(C)C)s1.CC(C)(C)c1csc(C(C)(C)C)n1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1nnc(C(C)(C)C)s1.CC(C)c1cn(C(C)(C)C)cn1.
What is the InChIKey of 1-tert-butyl-4-propan-2-ylimidazole;1,4-ditert-butylbenzene;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;bis(2,5-ditert-butylpyridine);2,5-ditert-butyl-1,3,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole?
The InChIKey is ZGESDLNRNNRCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22.2C13H21N.C11H19NO.2C11H19NS.C10H19N3.C10H18N2O.C10H18N2S.C10H18N2/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;2*1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-10(2,3)8-7-13-9(12-8)11(4,5)6;1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-9(2,3)8-7-13(12-11-8)10(4,5)6;2*1-9(2,3)7-11-12-8(13-7)10(4,5)6;1-8(2)9-6-12(7-11-9)10(3,4)5/h7-10H,1-6H3;2*7-9H,1-6H3;4*7H,1-6H3;2*1-6H3;6-8H,1-5H3.
What are the key properties of 1-tert-butyl-4-propan-2-ylimidazole;1,4-ditert-butylbenzene;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;bis(2,5-ditert-butylpyridine);2,5-ditert-butyl-1,3,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole?
1-tert-butyl-4-propan-2-ylimidazole;1,4-ditert-butylbenzene;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;bis(2,5-ditert-butylpyridine);2,5-ditert-butyl-1,3,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole has a molecular weight of 1877.09 g/mol, XLogP of 33.27, 1 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-propan-2-ylimidazole;1,4-ditert-butylbenzene;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;bis(2,5-ditert-butylpyridine);2,5-ditert-butyl-1,3,4-thiadiazole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole is sourced from PubChem (CID 162111356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).