2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-imidazole);2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;bis(5-tert-butyl-1H-pyrazole);2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;bis(4-tert-butyl-2H-triazole)

C117H193N27O6S3 — CID 165071450

IUPAC2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-imidazole);2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;bis(5-tert-butyl-1H-pyrazole);2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;bis(4-tert-butyl-2H-triazole)
SMILESCC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccno1.CC(C)(C)c1ccon1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cn[nH]n1.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)c1cncs1.CC(C)(C)c1cnoc1.CC(C)(C)c1cocn1.CC(C)(C)c1cscn1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1
InChIInChI=1S/6C7H12N2.6C7H11NO.3C7H11NS.2C6H11N3/c2*1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-8-4-5-9-6;2*1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;2*1-6(2,3)5-4-7-9-8-5/h6*4-5H,1-3H3,(H,8,9);9*4-5H,1-3H3;2*4H,1-3H3,(H,7,8,9)
InChIKeySVKDWSDGRMBRQE-UHFFFAOYSA-N
MW2170.21 g/mol
LogP31.60
Rot. Bonds

About 2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-imidazole);2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;bis(5-tert-butyl-1H-pyrazole);2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;bis(4-tert-butyl-2H-triazole)

2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-imidazole);2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;bis(5-tert-butyl-1H-pyrazole);2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;bis(4-tert-butyl-2H-triazole) (PubChem CID 165071450) has the molecular formula C117H193N27O6S3 and a molecular weight of 2170.21 g/mol. Its IUPAC name is 2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-imidazole);2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;bis(5-tert-butyl-1H-pyrazole);2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;bis(4-tert-butyl-2H-triazole).

Molecular Properties

Compound Name2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-imidazole);2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;bis(5-tert-butyl-1H-pyrazole);2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;bis(4-tert-butyl-2H-triazole)
PubChem CID165071450
Molecular FormulaC117H193N27O6S3
Molecular Weight2170.21 g/mol
Exact Mass2168.48
IUPAC Name2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-imidazole);2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;bis(5-tert-butyl-1H-pyrazole);2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;bis(4-tert-butyl-2H-triazole)
SMILESCC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccno1.CC(C)(C)c1ccon1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cn[nH]n1.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)c1cncs1.CC(C)(C)c1cnoc1.CC(C)(C)c1cocn1.CC(C)(C)c1cscn1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1
InChIInChI=1S/6C7H12N2.6C7H11NO.3C7H11NS.2C6H11N3/c2*1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-8-4-5-9-6;2*1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;2*1-6(2,3)5-4-7-9-8-5/h6*4-5H,1-3H3,(H,8,9);9*4-5H,1-3H3;2*4H,1-3H3,(H,7,8,9)
InChIKeySVKDWSDGRMBRQE-UHFFFAOYSA-N
XLogP31.60
TPSA450.07 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002170.21
LogP ≤ 531.60
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Analyze 2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-imidazole);2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;bis(5-tert-butyl-1H-pyrazole);2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;bis(4-tert-butyl-2H-triazole) with MolForge

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Launch Full Analysis

Related Compounds

2,5-ditert-butyl-1H-imidazole;3,5-ditert-butyl-4-nitro-1,2-oxazole;3,5-ditert-butyl-4-nitro-1H-pyrazole;2,5-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-pyrazole;3,5-ditert-butyl-1H-pyrazole-4-carboxylic acid;2,5-ditert-butyl-1,3-thiazole;3,5-ditert-butyl-4-(trifluoromethylsulfonyl)-1H-pyrazole;N-(5,5-dimethyl-4-oxohexyl)-2,2-dimethylpropanamide
CID 157051208
2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyl-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole
CID 157077930
2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-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;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole
CID 157078364
bis(4,5-dimethyloxadiazole);1,3-dimethylpyrrole;4,5-dimethyl-2H-triazole;ethane;methane;2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;5-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 157089703
1,2-dimethylimidazole;1,5-dimethylimidazole;bis(4,5-dimethyl-1H-imidazole);bis(3,4-dimethyl-1,2-oxazole);bis(4,5-dimethyl-1,3-oxazole);bis(1,5-dimethylpyrazole);bis(4,5-dimethyl-1H-pyrazole);1,5-dimethyltetrazole;bis(3,4-dimethyl-1,2-thiazole);bis(4,5-dimethyl-1,3-thiazole);1,5-dimethyltriazole;1,5-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole;ethane
CID 157103557
4-Tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;4-tert-butyl-1-[2-(2,2-dimethylpropylsulfanyl)ethyl]-2-methylpyrazol-2-ium;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-thiazole
CID 157117008
2-chloro-5-(2,2-dimethylpropyl)-1,3-thiazole;3-(2,2-dimethylpropyl)-1,5-dimethylpyrazole;2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;bis(3-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole);bis(5-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole);3-(2,2-dimethylpropyl)-5-methyl-1H-1,2,4-triazole;2-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-1,3-oxazole;bis(4-(2,2-dimethylpropyl)-1,3-oxazole);5-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-thiazole;5-(2,2-dimethylpropyl)-1H-pyrazole;2-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole
CID 157121208
tert-butylbenzene;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butyl-4H-pyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-3H-pyrrole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole
CID 157121562
1-tert-butyl-3-(2-tert-butyl-1H-imidazol-5-yl)urea;1-tert-butyl-3-(5-tert-butyl-1H-imidazol-2-yl)urea;1-tert-butyl-3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)urea;1-tert-butyl-3-(2-tert-butyl-1,3-oxazol-4-yl)urea;1-tert-butyl-3-(2-tert-butyl-1,3-oxazol-5-yl)urea;1-tert-butyl-3-(3-tert-butyl-1,2-oxazol-5-yl)urea;1-tert-butyl-3-(4-tert-butyl-1,3-oxazol-2-yl)urea;1-tert-butyl-3-(5-tert-butyl-1,2-oxazol-3-yl)urea;1-tert-butyl-3-(3-tert-butylphenyl)urea;1-tert-butyl-3-(5-tert-butyl-1H-pyrazol-3-yl)urea;1-tert-butyl-3-(4-tert-butyl-1H-pyrrol-2-yl)urea;1-tert-butyl-3-(5-tert-butyl-1H-pyrrol-2-yl)urea;1-tert-butyl-3-(5-tert-butyl-1H-pyrrol-3-yl)urea;1-tert-butyl-3-(2-tert-butyl-1,3-thiazol-4-yl)urea;1-tert-butyl-3-(2-tert-butyl-1,3-thiazol-5-yl)urea;1-tert-butyl-3-(4-tert-butyl-1,3-thiazol-2-yl)urea
CID 157132686
ethane;bis(5-methyl-2-propan-2-yl-1H-imidazole);1-methyl-3-propan-2-ylimidazolidin-2-one;1-methyl-3-propan-2-ylimidazol-2-one;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-2H-pyrrole;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yltetrazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2-thiazole;4-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole
CID 157139190
ethane;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1H-pyrazole);4-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157157509
5-Tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-4-methyl-1,3-thiazole;3-tert-butyloxetane;3-tert-butyloxolane
CID 157209825

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-imidazole);2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;bis(5-tert-butyl-1H-pyrazole);2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;bis(4-tert-butyl-2H-triazole)?
The IUPAC name of 2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-imidazole);2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;bis(5-tert-butyl-1H-pyrazole);2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;bis(4-tert-butyl-2H-triazole) (CID 165071450) is 2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-imidazole);2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;bis(5-tert-butyl-1H-pyrazole);2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;bis(4-tert-butyl-2H-triazole).
What is the SMILES notation for 2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-imidazole);2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;bis(5-tert-butyl-1H-pyrazole);2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;bis(4-tert-butyl-2H-triazole)?
The canonical SMILES for 2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-imidazole);2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;bis(5-tert-butyl-1H-pyrazole);2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;bis(4-tert-butyl-2H-triazole) is CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccno1.CC(C)(C)c1ccon1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cn[nH]n1.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)c1cncs1.CC(C)(C)c1cnoc1.CC(C)(C)c1cocn1.CC(C)(C)c1cscn1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.
What is the InChIKey of 2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-imidazole);2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;bis(5-tert-butyl-1H-pyrazole);2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;bis(4-tert-butyl-2H-triazole)?
The InChIKey is SVKDWSDGRMBRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/6C7H12N2.6C7H11NO.3C7H11NS.2C6H11N3/c2*1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-8-4-5-9-6;2*1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;2*1-6(2,3)5-4-7-9-8-5/h6*4-5H,1-3H3,(H,8,9);9*4-5H,1-3H3;2*4H,1-3H3,(H,7,8,9).
What are the key properties of 2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-imidazole);2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;bis(5-tert-butyl-1H-pyrazole);2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;bis(4-tert-butyl-2H-triazole)?
2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-imidazole);2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;bis(5-tert-butyl-1H-pyrazole);2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;bis(4-tert-butyl-2H-triazole) has a molecular weight of 2170.21 g/mol, XLogP of 31.60, 0 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-imidazole);2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;bis(5-tert-butyl-1H-pyrazole);2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;bis(4-tert-butyl-2H-triazole) is sourced from PubChem (CID 165071450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).