bis(2-tert-butylfuran);2-tert-butyl-4H-imidazole;tris(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;5-tert-butyl-2H-pyrrole;2-tert-butyl-1,3-thiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole

C87H129N11O6S — CID 158356278

IUPACbis(2-tert-butylfuran);2-tert-butyl-4H-imidazole;tris(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;5-tert-butyl-2H-pyrrole;2-tert-butyl-1,3-thiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole
SMILESCC(C)(C)C1=NCC=C1.CC(C)(C)C1=NCC=N1.CC(C)(C)c1ccco1.CC(C)(C)c1ccco1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)n1cccn1.CC(C)C1=Nc2ccccc2C1.CC(C)c1nc2ccccc2o1
InChIInChI=1S/C11H13N.C10H11NO.C8H13N.2C8H12O.2C7H12N2.3C7H11NO.C7H11NS/c1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)10-11-8-5-3-4-6-9(8)12-10;3*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-8-4-5-9-6;1-7(2,3)9-6-4-5-8-9;4*1-7(2,3)6-8-4-5-9-6/h3-6,8H,7H2,1-2H3;3-7H,1-2H3;4-5H,6H2,1-3H3;2*4-6H,1-3H3;4H,5H2,1-3H3;4-6H,1-3H3;4*4-5H,1-3H3
InChIKeyGSXNGIJWDIBUSY-UHFFFAOYSA-N
MW1457.13 g/mol
LogP24.63
Rot. Bonds2

About bis(2-tert-butylfuran);2-tert-butyl-4H-imidazole;tris(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;5-tert-butyl-2H-pyrrole;2-tert-butyl-1,3-thiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole

bis(2-tert-butylfuran);2-tert-butyl-4H-imidazole;tris(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;5-tert-butyl-2H-pyrrole;2-tert-butyl-1,3-thiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole (PubChem CID 158356278) has the molecular formula C87H129N11O6S and a molecular weight of 1457.13 g/mol. Its IUPAC name is bis(2-tert-butylfuran);2-tert-butyl-4H-imidazole;tris(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;5-tert-butyl-2H-pyrrole;2-tert-butyl-1,3-thiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole.

Molecular Properties

Compound Namebis(2-tert-butylfuran);2-tert-butyl-4H-imidazole;tris(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;5-tert-butyl-2H-pyrrole;2-tert-butyl-1,3-thiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole
PubChem CID158356278
Molecular FormulaC87H129N11O6S
Molecular Weight1457.13 g/mol
Exact Mass1455.98
IUPAC Namebis(2-tert-butylfuran);2-tert-butyl-4H-imidazole;tris(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;5-tert-butyl-2H-pyrrole;2-tert-butyl-1,3-thiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole
SMILESCC(C)(C)C1=NCC=C1.CC(C)(C)C1=NCC=N1.CC(C)(C)c1ccco1.CC(C)(C)c1ccco1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)n1cccn1.CC(C)C1=Nc2ccccc2C1.CC(C)c1nc2ccccc2o1
InChIInChI=1S/C11H13N.C10H11NO.C8H13N.2C8H12O.2C7H12N2.3C7H11NO.C7H11NS/c1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)10-11-8-5-3-4-6-9(8)12-10;3*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-8-4-5-9-6;1-7(2,3)9-6-4-5-8-9;4*1-7(2,3)6-8-4-5-9-6/h3-6,8H,7H2,1-2H3;3-7H,1-2H3;4-5H,6H2,1-3H3;2*4-6H,1-3H3;4H,5H2,1-3H3;4-6H,1-3H3;4*4-5H,1-3H3
InChIKeyGSXNGIJWDIBUSY-UHFFFAOYSA-N
XLogP24.63
TPSA210.55 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds2
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001457.13
LogP ≤ 524.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze bis(2-tert-butylfuran);2-tert-butyl-4H-imidazole;tris(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;5-tert-butyl-2H-pyrrole;2-tert-butyl-1,3-thiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole with MolForge

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Related Compounds

Ethane;2-propan-2-yl-1,3-benzoselenazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole
CID 157191149
bis(2-tert-butylfuran);2-tert-butyl-1,3,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;2-propan-2-yl-4H-imidazole
CID 157264737
Ethane;methane;2-propan-2-yl-1,3-benzoselenazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole
CID 157466417
2-tert-butyl-1,3-benzoxazole;2-tert-butyl-4,5-dihydro-1,3-oxazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;bis(2-tert-butylfuran);2-tert-butyl-4H-imidazole;2-tert-butyl-1,3,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);5-tert-butyl-3H-pyrazole;5-tert-butyl-2H-pyrrole;2-tert-butyl-1,3,4-thiadiazole
CID 157763619
4-Tert-butyl-2-propan-2-ylfuran;4-tert-butyl-2-propan-2-ylthiophene;2,5-dimethyl-1,3-di(propan-2-yl)pyrrole;5,7-di(propan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;2,4-di(propan-2-yl)triazole
CID 157845858
1-(6H-1-benzothiophen-6-id-5-yl)-3-[2-[1-(6H-1-benzothiophen-6-id-5-yl)pyrazol-3-yl]propan-2-yl]pyrazole;1-(2-tert-butyl-6H-1-benzofuran-6-id-5-yl)-3-[2-[1-(2-tert-butyl-6H-1-benzofuran-6-id-5-yl)-5-phenylpyrazol-3-yl]propan-2-yl]-5-phenylpyrazole;2-tert-butyl-5-[3-[2-[1-(2-tert-butyl-6H-1,3-benzothiazol-6-id-5-yl)pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]-6H-1,3-benzothiazol-6-ide;2-tert-butyl-5-[3-[2-[1-(2-tert-butyl-6H-1,3-benzoxazol-6-id-7-yl)pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]-6H-1,3-benzoxazol-6-ide;tetrakis(platinum(2+))
CID 158783916
Ethane;methane;2-propan-2-yl-1,3-benzoselenazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole
CID 158851888
ethane;furan;1H-indazole;decakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;2-propan-2-yl-1,3-benzoxazole;1H-pyrrole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene
CID 158917473
1-Tert-butyl-4-chloro-3,5-dimethylpyrazole;1-tert-butyl-3,5-dimethylpyrazole;1-tert-butyl-3,5-dimethyl-1,2,4-triazole;2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole;1-tert-butyl-3,4,5-trimethylpyrazole
CID 158978807
2,5-Dimethyl-1,3-di(propan-2-yl)pyrrole;5,7-di(propan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;2,4-di(propan-2-yl)triazole
CID 159318073
Ethane;methane;2-propan-2-yl-1,3-benzoselenazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole
CID 160290314
2-Methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole
CID 160347269

Frequently Asked Questions

What is the IUPAC name of bis(2-tert-butylfuran);2-tert-butyl-4H-imidazole;tris(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;5-tert-butyl-2H-pyrrole;2-tert-butyl-1,3-thiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole?
The IUPAC name of bis(2-tert-butylfuran);2-tert-butyl-4H-imidazole;tris(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;5-tert-butyl-2H-pyrrole;2-tert-butyl-1,3-thiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole (CID 158356278) is bis(2-tert-butylfuran);2-tert-butyl-4H-imidazole;tris(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;5-tert-butyl-2H-pyrrole;2-tert-butyl-1,3-thiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole.
What is the SMILES notation for bis(2-tert-butylfuran);2-tert-butyl-4H-imidazole;tris(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;5-tert-butyl-2H-pyrrole;2-tert-butyl-1,3-thiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole?
The canonical SMILES for bis(2-tert-butylfuran);2-tert-butyl-4H-imidazole;tris(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;5-tert-butyl-2H-pyrrole;2-tert-butyl-1,3-thiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole is CC(C)(C)C1=NCC=C1.CC(C)(C)C1=NCC=N1.CC(C)(C)c1ccco1.CC(C)(C)c1ccco1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)n1cccn1.CC(C)C1=Nc2ccccc2C1.CC(C)c1nc2ccccc2o1.
What is the InChIKey of bis(2-tert-butylfuran);2-tert-butyl-4H-imidazole;tris(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;5-tert-butyl-2H-pyrrole;2-tert-butyl-1,3-thiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole?
The InChIKey is GSXNGIJWDIBUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.C10H11NO.C8H13N.2C8H12O.2C7H12N2.3C7H11NO.C7H11NS/c1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)10-11-8-5-3-4-6-9(8)12-10;3*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-8-4-5-9-6;1-7(2,3)9-6-4-5-8-9;4*1-7(2,3)6-8-4-5-9-6/h3-6,8H,7H2,1-2H3;3-7H,1-2H3;4-5H,6H2,1-3H3;2*4-6H,1-3H3;4H,5H2,1-3H3;4-6H,1-3H3;4*4-5H,1-3H3.
What are the key properties of bis(2-tert-butylfuran);2-tert-butyl-4H-imidazole;tris(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;5-tert-butyl-2H-pyrrole;2-tert-butyl-1,3-thiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole?
bis(2-tert-butylfuran);2-tert-butyl-4H-imidazole;tris(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;5-tert-butyl-2H-pyrrole;2-tert-butyl-1,3-thiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole has a molecular weight of 1457.13 g/mol, XLogP of 24.63, 2 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-tert-butylfuran);2-tert-butyl-4H-imidazole;tris(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;5-tert-butyl-2H-pyrrole;2-tert-butyl-1,3-thiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole is sourced from PubChem (CID 158356278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).