methane;pentakis(2-methylpropane);1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole;1H-1,2,4-triazole

C35H70N8O2S — CID 157192021

IUPACmethane;pentakis(2-methylpropane);1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole;1H-1,2,4-triazole
SMILESC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1cn[nH]c1.c1cnoc1.c1cocn1.c1cscn1.c1nc[nH]n1
InChIInChI=1S/5C4H10.C3H4N2.2C3H3NO.C3H3NS.C2H3N3.CH4/c5*1-4(2)3;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1;/h5*4H,1-3H3;1-3H,(H,4,5);3*1-3H;1-2H,(H,3,4,5);1H4
InChIKeyAPUQXNYCWMYTLN-UHFFFAOYSA-N
MW667.07 g/mol
LogP11.65
Rot. Bonds

About methane;pentakis(2-methylpropane);1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole;1H-1,2,4-triazole

methane;pentakis(2-methylpropane);1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole;1H-1,2,4-triazole (PubChem CID 157192021) has the molecular formula C35H70N8O2S and a molecular weight of 667.07 g/mol. Its IUPAC name is methane;pentakis(2-methylpropane);1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole;1H-1,2,4-triazole.

Molecular Properties

Compound Namemethane;pentakis(2-methylpropane);1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole;1H-1,2,4-triazole
PubChem CID157192021
Molecular FormulaC35H70N8O2S
Molecular Weight667.07 g/mol
Exact Mass666.53
IUPAC Namemethane;pentakis(2-methylpropane);1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole;1H-1,2,4-triazole
SMILESC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1cn[nH]c1.c1cnoc1.c1cocn1.c1cscn1.c1nc[nH]n1
InChIInChI=1S/5C4H10.C3H4N2.2C3H3NO.C3H3NS.C2H3N3.CH4/c5*1-4(2)3;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1;/h5*4H,1-3H3;1-3H,(H,4,5);3*1-3H;1-2H,(H,3,4,5);1H4
InChIKeyAPUQXNYCWMYTLN-UHFFFAOYSA-N
XLogP11.65
TPSA135.20 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.07
LogP ≤ 511.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole
CID 66973871
ethane;1H-imidazole;tridecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole
CID 157062258
nonakis(2,2-dimethylpropane);2-methylpropane;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1H-pyrazole;bis(2H-tetrazole);1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole
CID 157269807
ethane;1H-imidazole;henicosakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;bis(2H-tetrazole);thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole
CID 157857228
ethane;1H-imidazole;henicosakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;bis(2H-tetrazole);thiadiazole;bis(1,3,4-thiadiazole);thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole
CID 158371257
1H-imidazole;bis(1,2-oxazole);1,3-oxazole;bis(1H-pyrazole);bis(1,2-thiazole);bis(1,3-thiazole)
CID 158423438
decakis(2-methylpropane);oxadiazole;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;5-propan-2-yloxatriazole;5-propan-2-ylthiatriazole;1H-pyrazole;thiadiazole;1,2,5-thiadiazole;1,2,3,5-thiatriazole;1,2-thiazole
CID 158530772
ethane;1H-imidazole;tetradecakis(2-methylbutane);1-methyl-5-(2-methylpropyl)tetrazole;2-methyl-5-(2-methylpropyl)tetrazole;4-(2-methylpropyl)-1,2,3,5-oxatriazole;5-(2-methylpropyl)oxatriazole;4-(2-methylpropyl)-1,2,3,5-thiatriazole;5-(2-methylpropyl)thiatriazole;oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole
CID 158686031
ethane;1H-imidazole;pentadecakis(2-methylbutane);1-methyl-5-(2-methylpropyl)tetrazole;2-methyl-5-(2-methylpropyl)tetrazole;4-(2-methylpropyl)-1,2,3,5-oxatriazole;5-(2-methylpropyl)oxatriazole;4-(2-methylpropyl)-1,2,3,5-thiatriazole;5-(2-methylpropyl)thiatriazole;oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole
CID 158691836
pentakis(2-methylpropane);1,2,4-oxadiazole;1,3-oxazole;1H-pyrazole;1,3,4-thiadiazole;1,3-thiazole
CID 159025368
1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,2-thiazole;1,3-thiazole
CID 159168066
furan;heptakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3,4-thiadiazole;1,3-thiazole
CID 159207304

Frequently Asked Questions

What is the IUPAC name of methane;pentakis(2-methylpropane);1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole;1H-1,2,4-triazole?
The IUPAC name of methane;pentakis(2-methylpropane);1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole;1H-1,2,4-triazole (CID 157192021) is methane;pentakis(2-methylpropane);1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole;1H-1,2,4-triazole.
What is the SMILES notation for methane;pentakis(2-methylpropane);1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole;1H-1,2,4-triazole?
The canonical SMILES for methane;pentakis(2-methylpropane);1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole;1H-1,2,4-triazole is C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1cn[nH]c1.c1cnoc1.c1cocn1.c1cscn1.c1nc[nH]n1.
What is the InChIKey of methane;pentakis(2-methylpropane);1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole;1H-1,2,4-triazole?
The InChIKey is APUQXNYCWMYTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/5C4H10.C3H4N2.2C3H3NO.C3H3NS.C2H3N3.CH4/c5*1-4(2)3;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1;/h5*4H,1-3H3;1-3H,(H,4,5);3*1-3H;1-2H,(H,3,4,5);1H4.
What are the key properties of methane;pentakis(2-methylpropane);1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole;1H-1,2,4-triazole?
methane;pentakis(2-methylpropane);1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole;1H-1,2,4-triazole has a molecular weight of 667.07 g/mol, XLogP of 11.65, 0 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methane;pentakis(2-methylpropane);1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole;1H-1,2,4-triazole is sourced from PubChem (CID 157192021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).