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;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);methane;1-methylimidazole;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;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);methane;1-methylimidazole;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;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);methane;1-methylimidazole;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;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);methane;1-methylimidazole;1-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3-thiazole (PubChem CID 164964807) has the molecular formula C95H177N23O5S5 and a molecular weight of 1881.95 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;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);methane;1-methylimidazole;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;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);methane;1-methylimidazole;1-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3-thiazole
PubChem CID	164964807
Molecular Formula	C95H177N23O5S5
Molecular Weight	1881.95 g/mol
Exact Mass	1880.29
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;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);methane;1-methylimidazole;1-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3-thiazole
SMILES	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)C.CC(C)(C)c1ccon1.CC(C)(C)c1ccsn1.CC(C)(C)c1ncon1.CC(C)(C)c1ncsn1.CC(C)(C)c1nnco1.CC(C)(C)c1nncs1.Cn1ccc(C(C)(C)C)n1.Cn1ccnc1.Cn1cncn1.c1cocn1.c1cscn1.c1ncon1.c1ncsn1
InChI	InChI=1S/C8H14N2.C7H11NO.C7H11NS.2C6H10N2O.2C6H10N2S.6C5H12.C4H6N2.C3H5N3.C3H3NO.C3H3NS.C2H2N2O.C2H2N2S.2CH4/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;1-6(2,3)5-7-4-9-8-5;1-6(2,3)5-8-7-4-9-5;1-6(2,3)5-7-4-9-8-5;61-5(2,3)4;1-6-3-2-5-4-6;1-6-3-4-2-5-6;21-2-5-3-4-1;21-3-2-5-4-1;;/h5-6H,1-4H3;24-5H,1-3H3;44H,1-3H3;61-4H3;2-4H,1H3;2-3H,1H3;21-3H;21-2H;21H4
InChIKey	CIIDSULABLKNSX-UHFFFAOYSA-N
XLogP	28.78
TPSA	338.29 Å²
H-Bond Donors
H-Bond Acceptors	33
Rotatable Bonds
Heavy Atoms	128
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1881.95
LogP ≤ 5	28.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

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;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);methane;1-methylimidazole;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;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);methane;1-methylimidazole;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;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);methane;1-methylimidazole;1-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3-thiazole (CID 164964807) 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;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);methane;1-methylimidazole;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;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);methane;1-methylimidazole;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;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);methane;1-methylimidazole;1-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3-thiazole is 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)C.CC(C)(C)c1ccon1.CC(C)(C)c1ccsn1.CC(C)(C)c1ncon1.CC(C)(C)c1ncsn1.CC(C)(C)c1nnco1.CC(C)(C)c1nncs1.Cn1ccc(C(C)(C)C)n1.Cn1ccnc1.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;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);methane;1-methylimidazole;1-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3-thiazole?

The InChIKey is CIIDSULABLKNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.C7H11NO.C7H11NS.2C6H10N2O.2C6H10N2S.6C5H12.C4H6N2.C3H5N3.C3H3NO.C3H3NS.C2H2N2O.C2H2N2S.2CH4/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;1-6(2,3)5-7-4-9-8-5;1-6(2,3)5-8-7-4-9-5;1-6(2,3)5-7-4-9-8-5;6*1-5(2,3)4;1-6-3-2-5-4-6;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;4*4H,1-3H3;6*1-4H3;2-4H,1H3;2-3H,1H3;2*1-3H;2*1-2H;2*1H4.

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;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);methane;1-methylimidazole;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;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);methane;1-methylimidazole;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 164964807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).