3-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);1-methylimidazole;2-methylpropane;bis(1-methyl-1,2,4-triazole);1,2,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3-thiazole — IUPAC name, SMILES, InChIKey & properties

Name: 3-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);1-methylimidazole;2-methylpropane;bis(1-methyl-1,2,4-triazole);1,2,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3-thiazole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 3-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);1-methylimidazole;2-methylpropane;bis(1-methyl-1,2,4-triazole);1,2,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3-thiazole

3-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);1-methylimidazole;2-methylpropane;bis(1-methyl-1,2,4-triazole);1,2,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3-thiazole (PubChem CID 163897003) has the molecular formula C99H183N27O5S5 and a molecular weight of 1992.07 g/mol. Its IUPAC name is 3-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);1-methylimidazole;2-methylpropane;bis(1-methyl-1,2,4-triazole);1,2,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3-thiazole.

Molecular Properties

Compound Name	3-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);1-methylimidazole;2-methylpropane;bis(1-methyl-1,2,4-triazole);1,2,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3-thiazole
PubChem CID	163897003
Molecular Formula	C99H183N27O5S5
Molecular Weight	1992.07 g/mol
Exact Mass	1990.35
IUPAC Name	3-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);1-methylimidazole;2-methylpropane;bis(1-methyl-1,2,4-triazole);1,2,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3-thiazole
SMILES	CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccon1.CC(C)(C)c1ccsn1.CC(C)(C)c1ncon1.CC(C)(C)c1ncsn1.CC(C)(C)c1nnco1.CC(C)(C)c1nnns1.CC(C)C.Cn1ccc(C(C)(C)C)n1.Cn1ccnc1.Cn1cncn1.Cn1cncn1.c1cocn1.c1cscn1.c1ncon1.c1ncsn1
InChI	InChI=1S/C8H14N2.C7H11NO.C7H11NS.2C6H10N2O.C6H10N2S.C5H9N3S.6C5H12.C4H6N2.C4H10.2C3H5N3.C3H3NO.C3H3NS.C2H2N2O.C2H2N2S/c1-8(2,3)7-5-6-10(4)9-7;21-7(2,3)6-4-5-9-8-6;1-6(2,3)5-8-7-4-9-5;21-6(2,3)5-7-4-9-8-5;1-5(2,3)4-6-7-8-9-4;61-5(2,3)4;1-6-3-2-5-4-6;1-4(2)3;21-6-3-4-2-5-6;21-2-5-3-4-1;21-3-2-5-4-1/h5-6H,1-4H3;24-5H,1-3H3;34H,1-3H3;1-3H3;61-4H3;2-4H,1H3;4H,1-3H3;22-3H,1H3;21-3H;21-2H
InChIKey	QGNFITQVVWUDSC-UHFFFAOYSA-N
XLogP	28.38
TPSA	381.89 Å²
H-Bond Donors
H-Bond Acceptors	37
Rotatable Bonds
Heavy Atoms	136
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1992.07
LogP ≤ 5	28.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Analyze 3-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);1-methylimidazole;2-methylpropane;bis(1-methyl-1,2,4-triazole);1,2,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);1-methylimidazole;2-methylpropane;bis(1-methyl-1,2,4-triazole);1,2,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3-thiazole?

The IUPAC name of 3-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);1-methylimidazole;2-methylpropane;bis(1-methyl-1,2,4-triazole);1,2,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3-thiazole (CID 163897003) is 3-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);1-methylimidazole;2-methylpropane;bis(1-methyl-1,2,4-triazole);1,2,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3-thiazole.

What is the SMILES notation for 3-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);1-methylimidazole;2-methylpropane;bis(1-methyl-1,2,4-triazole);1,2,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3-thiazole?

The canonical SMILES for 3-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);1-methylimidazole;2-methylpropane;bis(1-methyl-1,2,4-triazole);1,2,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3-thiazole is CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccon1.CC(C)(C)c1ccsn1.CC(C)(C)c1ncon1.CC(C)(C)c1ncsn1.CC(C)(C)c1nnco1.CC(C)(C)c1nnns1.CC(C)C.Cn1ccc(C(C)(C)C)n1.Cn1ccnc1.Cn1cncn1.Cn1cncn1.c1cocn1.c1cscn1.c1ncon1.c1ncsn1.

What is the InChIKey of 3-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);1-methylimidazole;2-methylpropane;bis(1-methyl-1,2,4-triazole);1,2,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3-thiazole?

The InChIKey is QGNFITQVVWUDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.C7H11NO.C7H11NS.2C6H10N2O.C6H10N2S.C5H9N3S.6C5H12.C4H6N2.C4H10.2C3H5N3.C3H3NO.C3H3NS.C2H2N2O.C2H2N2S/c1-8(2,3)7-5-6-10(4)9-7;2*1-7(2,3)6-4-5-9-8-6;1-6(2,3)5-8-7-4-9-5;2*1-6(2,3)5-7-4-9-8-5;1-5(2,3)4-6-7-8-9-4;6*1-5(2,3)4;1-6-3-2-5-4-6;1-4(2)3;2*1-6-3-4-2-5-6;2*1-2-5-3-4-1;2*1-3-2-5-4-1/h5-6H,1-4H3;2*4-5H,1-3H3;3*4H,1-3H3;1-3H3;6*1-4H3;2-4H,1H3;4H,1-3H3;2*2-3H,1H3;2*1-3H;2*1-2H.

What are the key properties of 3-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);1-methylimidazole;2-methylpropane;bis(1-methyl-1,2,4-triazole);1,2,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3-thiazole?

Where does this data come from?

All data for 3-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2-oxazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);1-methylimidazole;2-methylpropane;bis(1-methyl-1,2,4-triazole);1,2,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3-thiazole is sourced from PubChem (CID 163897003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).