methane;2-propan-2-ylfuran;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);1-propan-2-yl-1,2,4-triazole

C67H106N14O6S2 — CID 159610767

IUPACmethane;2-propan-2-ylfuran;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);1-propan-2-yl-1,2,4-triazole
SMILESC.CC(C)C1=CCN=C1.CC(C)c1ccco1.CC(C)c1ccn[nH]1.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1ncco1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nccs1.CC(C)c1ncno1.CC(C)n1cncn1
InChIInChI=1S/C7H11N.C7H10O.C6H10N2.4C6H9NO.2C6H9NS.C5H9N3.C5H8N2O.CH4/c1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-7-8-6;2*1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;2*1-5(2)6-7-3-4-8-6;1-5(2)8-4-6-3-7-8;1-4(2)5-6-3-7-8-5;/h3,5-6H,4H2,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8);7*3-5H,1-2H3;3-4H,1-2H3;1H4
InChIKeyMMQWXGXPXDEEMY-UHFFFAOYSA-N
MW1267.81 g/mol
LogP20.00
Rot. Bonds11

About methane;2-propan-2-ylfuran;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);1-propan-2-yl-1,2,4-triazole

methane;2-propan-2-ylfuran;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);1-propan-2-yl-1,2,4-triazole (PubChem CID 159610767) has the molecular formula C67H106N14O6S2 and a molecular weight of 1267.81 g/mol. Its IUPAC name is methane;2-propan-2-ylfuran;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);1-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Namemethane;2-propan-2-ylfuran;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);1-propan-2-yl-1,2,4-triazole
PubChem CID159610767
Molecular FormulaC67H106N14O6S2
Molecular Weight1267.81 g/mol
Exact Mass1266.79
IUPAC Namemethane;2-propan-2-ylfuran;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);1-propan-2-yl-1,2,4-triazole
SMILESC.CC(C)C1=CCN=C1.CC(C)c1ccco1.CC(C)c1ccn[nH]1.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1ncco1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nccs1.CC(C)c1ncno1.CC(C)n1cncn1
InChIInChI=1S/C7H11N.C7H10O.C6H10N2.4C6H9NO.2C6H9NS.C5H9N3.C5H8N2O.CH4/c1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-7-8-6;2*1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;2*1-5(2)6-7-3-4-8-6;1-5(2)8-4-6-3-7-8;1-4(2)5-6-3-7-8-5;/h3,5-6H,4H2,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8);7*3-5H,1-2H3;3-4H,1-2H3;1H4
InChIKeyMMQWXGXPXDEEMY-UHFFFAOYSA-N
XLogP20.00
TPSA253.71 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds11
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001267.81
LogP ≤ 520.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze methane;2-propan-2-ylfuran;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);1-propan-2-yl-1,2,4-triazole with MolForge

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Launch Full Analysis

Related Compounds

5-Tert-butyl-3-(2,2-difluoropropyl)-1,2-oxazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;3-ethyl-5-propan-2-yl-1,2-oxazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine
CID 157916697
5-Tert-butyl-3-cyclopropyl-1,2-oxazole;2-tert-butyl-4-ethylfuran;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;2-tert-butyl-4-(2,2,2-trifluoroethyl)-1,3-oxazole;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole;4-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazole;2-cyclopropyl-5-propan-2-yl-1,3-oxazole;methane;5-propan-2-yl-1,3-oxazole
CID 158177441
2-tert-butyl-5-propan-2-yl-1,3,4-thiadiazole;3-cyclopropyl-5-(2-methylpropyl)-1H-1,2,4-triazole;2,5-dimethyl-3-(2-methylpropyl)furan;2,5-dimethyl-4-(2-methylpropyl)-1,3-oxazole;3,3-dimethyl-2-propan-2-yl-N-(1,3-thiazol-2-yl)butanamide;ethyl 5-(2,2,4-trimethylpentan-3-yl)-1,3,4-oxadiazol-3-ium-3-carboxylate;N-(furan-3-yl)-3,3-dimethyl-2-propan-2-ylbutanamide;methane;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;5-methyl-3-(2-methylpropyl)-2-(trifluoromethyl)furan;5-(2-methylpropyl)-1,2-oxazol-3-one;2-methyl-5-(2,2,4-trimethylpentan-3-yl)-1,3,4-oxadiazole;3-propan-2-yloxolan-2-one;1-[5-(2,2,4-trimethylpentan-3-yl)-1,2,4-oxadiazol-3-yl]ethanone;1-[5-(2,2,4-trimethylpentan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-one;5-(2,2,4-trimethylpentan-3-yl)-3H-1,2,4-triazole
CID 159339143
1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2-oxazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;3-ethyl-5-propan-2-yl-1,2-oxazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine
CID 159443558
5-Tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-ethyl-1,2,4-oxadiazole;5-tert-butyl-3-ethyl-1,2-oxazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole;2-cyclopropyl-5-propan-2-yl-1,3-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole
CID 160597702
1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole;4-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;3-ethyl-5-propan-2-yl-1,2-oxazole;methane;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine
CID 161268836
5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;bis(5-tert-butyl-3-ethyl-1,2,4-oxadiazole);4-tert-butyl-1-ethylpyrazole;2-tert-butyl-4-methylfuran;5-tert-butyl-2-methyl-1,3-oxazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-1-methylpyrrole;bis(5-tert-butyl-2-methyl-1,3-thiazole);bis(1-tert-butylpyrazole);(5-tert-butylthiophen-2-yl)methanol;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrrole;1-methyl-4-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole;1-propan-2-yl-1,2,4-triazole
CID 161672009
3-(Difluoromethyl)-5-propan-2-yl-1,2,4-oxadiazole;1,3-dimethyl-4-propan-2-ylpyrazole;methane;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(2,2,2-trifluoroethyl)furan
CID 161732753
2-[6-benzyl-6-(furan-2-yl)-3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-2-(1,3-thiazol-2-yl)cyclohexa-1,3-dien-1-yl]-1,3-oxazole
CID 140986989
2-[1-(furan-2-yl)-4-(1,2-oxazol-3-yl)-1-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-1-thiophen-2-yl-1-(1H-1,2,4-triazol-5-yl)-1,2-thiazol-5-yl]-1,3-oxazole
CID 141026497
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

Frequently Asked Questions

What is the IUPAC name of methane;2-propan-2-ylfuran;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);1-propan-2-yl-1,2,4-triazole?
The IUPAC name of methane;2-propan-2-ylfuran;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);1-propan-2-yl-1,2,4-triazole (CID 159610767) is methane;2-propan-2-ylfuran;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);1-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for methane;2-propan-2-ylfuran;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);1-propan-2-yl-1,2,4-triazole?
The canonical SMILES for methane;2-propan-2-ylfuran;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);1-propan-2-yl-1,2,4-triazole is C.CC(C)C1=CCN=C1.CC(C)c1ccco1.CC(C)c1ccn[nH]1.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1ncco1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nccs1.CC(C)c1ncno1.CC(C)n1cncn1.
What is the InChIKey of methane;2-propan-2-ylfuran;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);1-propan-2-yl-1,2,4-triazole?
The InChIKey is MMQWXGXPXDEEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.C7H10O.C6H10N2.4C6H9NO.2C6H9NS.C5H9N3.C5H8N2O.CH4/c1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-7-8-6;2*1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;2*1-5(2)6-7-3-4-8-6;1-5(2)8-4-6-3-7-8;1-4(2)5-6-3-7-8-5;/h3,5-6H,4H2,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8);7*3-5H,1-2H3;3-4H,1-2H3;1H4.
What are the key properties of methane;2-propan-2-ylfuran;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);1-propan-2-yl-1,2,4-triazole?
methane;2-propan-2-ylfuran;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);1-propan-2-yl-1,2,4-triazole has a molecular weight of 1267.81 g/mol, XLogP of 20.00, 11 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-propan-2-ylfuran;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);1-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 159610767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).