4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-3,5-dimethyl-1,2-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;5-tert-butyl-3,4-dimethyl-1,2-thiazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-5-methyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole

C71H121N11OS4 — CID 164982917

IUPAC4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-3,5-dimethyl-1,2-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;5-tert-butyl-3,4-dimethyl-1,2-thiazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-5-methyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole
SMILESCc1cc(C(C)(C)C)n(C)n1.Cc1nc(C)c(C(C)(C)C)s1.Cc1nn(C)c(C)c1C(C)(C)C.Cc1noc(C)c1C(C)(C)C.Cc1nsc(C(C)(C)C)c1C.Cc1nsc(C)c1C(C)(C)C.Cc1scnc1C(C)(C)C.Cn1ccnc1C(C)(C)C
InChIInChI=1S/C10H18N2.C9H16N2.C9H15NO.3C9H15NS.C8H14N2.C8H13NS/c1-7-9(10(3,4)5)8(2)12(6)11-7;1-7-6-8(9(2,3)4)11(5)10-7;1-6-8(9(3,4)5)7(2)11-10-6;1-6-8(9(3,4)5)11-7(2)10-6;1-6-8(9(3,4)5)7(2)11-10-6;1-6-7(2)10-11-8(6)9(3,4)5;1-8(2,3)7-9-5-6-10(7)4;1-6-7(8(2,3)4)9-5-10-6/h1-6H3;6H,1-5H3;4*1-5H3;5-6H,1-4H3;5H,1-4H3
InChIKeyFTCXEWWWRLOCRD-UHFFFAOYSA-N
MW1273.09 g/mol
LogP20.59
Rot. Bonds

About 4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-3,5-dimethyl-1,2-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;5-tert-butyl-3,4-dimethyl-1,2-thiazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-5-methyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole

4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-3,5-dimethyl-1,2-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;5-tert-butyl-3,4-dimethyl-1,2-thiazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-5-methyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole (PubChem CID 164982917) has the molecular formula C71H121N11OS4 and a molecular weight of 1273.09 g/mol. Its IUPAC name is 4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-3,5-dimethyl-1,2-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;5-tert-butyl-3,4-dimethyl-1,2-thiazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-5-methyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole.

Molecular Properties

Compound Name4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-3,5-dimethyl-1,2-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;5-tert-butyl-3,4-dimethyl-1,2-thiazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-5-methyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole
PubChem CID164982917
Molecular FormulaC71H121N11OS4
Molecular Weight1273.09 g/mol
Exact Mass1271.86
IUPAC Name4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-3,5-dimethyl-1,2-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;5-tert-butyl-3,4-dimethyl-1,2-thiazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-5-methyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole
SMILESCc1cc(C(C)(C)C)n(C)n1.Cc1nc(C)c(C(C)(C)C)s1.Cc1nn(C)c(C)c1C(C)(C)C.Cc1noc(C)c1C(C)(C)C.Cc1nsc(C(C)(C)C)c1C.Cc1nsc(C)c1C(C)(C)C.Cc1scnc1C(C)(C)C.Cn1ccnc1C(C)(C)C
InChIInChI=1S/C10H18N2.C9H16N2.C9H15NO.3C9H15NS.C8H14N2.C8H13NS/c1-7-9(10(3,4)5)8(2)12(6)11-7;1-7-6-8(9(2,3)4)11(5)10-7;1-6-8(9(3,4)5)7(2)11-10-6;1-6-8(9(3,4)5)11-7(2)10-6;1-6-8(9(3,4)5)7(2)11-10-6;1-6-7(2)10-11-8(6)9(3,4)5;1-8(2,3)7-9-5-6-10(7)4;1-6-7(8(2,3)4)9-5-10-6/h1-6H3;6H,1-5H3;4*1-5H3;5-6H,1-4H3;5H,1-4H3
InChIKeyFTCXEWWWRLOCRD-UHFFFAOYSA-N
XLogP20.59
TPSA131.05 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001273.09
LogP ≤ 520.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-3,5-dimethyl-1,2-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;5-tert-butyl-3,4-dimethyl-1,2-thiazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-5-methyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole with MolForge

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Related Compounds

3,4-Dimethyl-5-propan-2-yl-1,2-oxazole;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2-thiazole;3-propan-2-yl-1,2-oxazole
CID 157178042
1,4-Dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpyrazole;2,5-dimethyl-1,3,4-thiadiazole;bis(2,5-dimethyl-1,3-thiazole);2,5-dimethylthiophene;1,4-dimethyltriazole;2,4-dimethyltriazole
CID 157552874
3,4-Dimethyl-5-propan-2-yl-1,2-oxazole;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2-thiazole;3-propan-2-yl-1,2-oxazole
CID 157642009
bis(1,2-di(propan-2-yl)imidazole);1,5-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;4,5-di(propan-2-yl)-1,3-thiazole;1,5-di(propan-2-yl)triazole;3,4-di(propan-2-yl)-1,2,4-triazole;1-methyl-4,5-di(propan-2-yl)imidazole;4-methyl-1,2-di(propan-2-yl)imidazole;5-methyl-1,2-di(propan-2-yl)imidazole;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole;1-methyl-3,4-di(propan-2-yl)pyrazole;5-methyl-3,4-di(propan-2-yl)-1H-pyrazole;2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;5-methyl-3,4-di(propan-2-yl)-1,2-thiazole;4-methyl-1,5-di(propan-2-yl)triazole
CID 157789160
5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);5-tert-butyl-2-ethenyl-3H-pyrrole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole
CID 158027284
1,4-Dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;1-methyl-2-propan-2-ylimidazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2,5-thiadiazole;1-methyl-5-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yl-1,2,4-triazole
CID 158241295
Ethane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole
CID 158546080
4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1-methylimidazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1-methylimidazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;2-tert-butyl-4-(2,2-dimethylpropylsulfanyl)pyrimidine;4-tert-butyl-6-(2,2-dimethylpropylsulfanyl)pyrimidine;4-tert-butyl-5-(2,2-dimethylpropylsulfanyl)-2H-pyrrole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-3H-pyrrole
CID 158674499
5-Tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;5-tert-butyl-3-ethynyl-1,2-oxazole;1-tert-butyl-3-ethynylpyrazole;4-tert-butyl-2-ethynyl-1,3-thiazole;4-tert-butyl-3-ethynyl-1,2-thiazole;5-tert-butyl-2-ethynyl-1,3-thiazole;5-tert-butyl-3-ethynyl-1,2-thiazole
CID 158948382
1,2-dimethylimidazole;1,3-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;1-methylcyclopenta-1,3-diene;5-methyl-1,2-oxazole;2-methyl-3H-pyrrole;3-methyl-2H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene;toluene
CID 159633494
1,4-Dimethyl-5-propan-2-ylimidazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,4-dimethyl-5-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3-ethyl-5-methyl-4-propan-2-yl-1,2-oxazole;5-ethyl-3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-4-propan-2-yl-1,2,4-triazole
CID 159640843
5-Tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-2-ethynylimidazole;5-tert-butyl-3-ethynyl-1,2-oxazole;1-tert-butyl-3-ethynylpyrazole;4-tert-butyl-2-ethynyl-1,3-thiazole;4-tert-butyl-3-ethynyl-1,2-thiazole;5-tert-butyl-2-ethynyl-1,3-thiazole;5-tert-butyl-3-ethynyl-1,2-thiazole
CID 159673242

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-3,5-dimethyl-1,2-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;5-tert-butyl-3,4-dimethyl-1,2-thiazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-5-methyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole?
The IUPAC name of 4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-3,5-dimethyl-1,2-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;5-tert-butyl-3,4-dimethyl-1,2-thiazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-5-methyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole (CID 164982917) is 4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-3,5-dimethyl-1,2-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;5-tert-butyl-3,4-dimethyl-1,2-thiazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-5-methyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole.
What is the SMILES notation for 4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-3,5-dimethyl-1,2-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;5-tert-butyl-3,4-dimethyl-1,2-thiazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-5-methyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole?
The canonical SMILES for 4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-3,5-dimethyl-1,2-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;5-tert-butyl-3,4-dimethyl-1,2-thiazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-5-methyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole is Cc1cc(C(C)(C)C)n(C)n1.Cc1nc(C)c(C(C)(C)C)s1.Cc1nn(C)c(C)c1C(C)(C)C.Cc1noc(C)c1C(C)(C)C.Cc1nsc(C(C)(C)C)c1C.Cc1nsc(C)c1C(C)(C)C.Cc1scnc1C(C)(C)C.Cn1ccnc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-3,5-dimethyl-1,2-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;5-tert-butyl-3,4-dimethyl-1,2-thiazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-5-methyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole?
The InChIKey is FTCXEWWWRLOCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2.C9H16N2.C9H15NO.3C9H15NS.C8H14N2.C8H13NS/c1-7-9(10(3,4)5)8(2)12(6)11-7;1-7-6-8(9(2,3)4)11(5)10-7;1-6-8(9(3,4)5)7(2)11-10-6;1-6-8(9(3,4)5)11-7(2)10-6;1-6-8(9(3,4)5)7(2)11-10-6;1-6-7(2)10-11-8(6)9(3,4)5;1-8(2,3)7-9-5-6-10(7)4;1-6-7(8(2,3)4)9-5-10-6/h1-6H3;6H,1-5H3;4*1-5H3;5-6H,1-4H3;5H,1-4H3.
What are the key properties of 4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-3,5-dimethyl-1,2-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;5-tert-butyl-3,4-dimethyl-1,2-thiazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-5-methyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole?
4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-3,5-dimethyl-1,2-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;5-tert-butyl-3,4-dimethyl-1,2-thiazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-5-methyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole has a molecular weight of 1273.09 g/mol, XLogP of 20.59, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-3,5-dimethyl-1,2-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;5-tert-butyl-3,4-dimethyl-1,2-thiazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-5-methyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole is sourced from PubChem (CID 164982917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).