1,2,4-oxadiazole;1,2,5-oxadiazole;1,3-oxazole;bis(1H-pyrazole);bis(thiadiazole);1,2,5-thiadiazole;1,3,4-thiadiazole;bis(1,2-thiazole);bis(1,3-thiazole);2H-triazole

C35H38N24O3S8 — CID 158070903

IUPAC1,2,4-oxadiazole;1,2,5-oxadiazole;1,3-oxazole;bis(1H-pyrazole);bis(thiadiazole);1,2,5-thiadiazole;1,3,4-thiadiazole;bis(1,2-thiazole);bis(1,3-thiazole);2H-triazole
SMILESc1cn[nH]c1.c1cn[nH]c1.c1cn[nH]n1.c1cnon1.c1cnsc1.c1cnsc1.c1cnsn1.c1cocn1.c1cscn1.c1cscn1.c1csnn1.c1csnn1.c1ncon1.c1nncs1
InChIInChI=1S/2C3H4N2.C3H3NO.4C3H3NS.C2H3N3.2C2H2N2O.4C2H2N2S/c2*1-2-4-5-3-1;3*1-2-5-3-4-1;3*1-2-4-5-3-1;1-3-2-5-4-1;1-2-4-5-3-1;1-3-4-2-5-1;2*1-2-5-4-3-1;1-2-4-5-3-1/h2*1-3H,(H,4,5);5*1-3H;1-2H,(H,3,4,5);6*1-2H
InChIKeyFLUQFBAIZGQUJL-UHFFFAOYSA-N
MW1099.39 g/mol
LogP8.16
Rot. Bonds

About 1,2,4-oxadiazole;1,2,5-oxadiazole;1,3-oxazole;bis(1H-pyrazole);bis(thiadiazole);1,2,5-thiadiazole;1,3,4-thiadiazole;bis(1,2-thiazole);bis(1,3-thiazole);2H-triazole

1,2,4-oxadiazole;1,2,5-oxadiazole;1,3-oxazole;bis(1H-pyrazole);bis(thiadiazole);1,2,5-thiadiazole;1,3,4-thiadiazole;bis(1,2-thiazole);bis(1,3-thiazole);2H-triazole (PubChem CID 158070903) has the molecular formula C35H38N24O3S8 and a molecular weight of 1099.39 g/mol. Its IUPAC name is 1,2,4-oxadiazole;1,2,5-oxadiazole;1,3-oxazole;bis(1H-pyrazole);bis(thiadiazole);1,2,5-thiadiazole;1,3,4-thiadiazole;bis(1,2-thiazole);bis(1,3-thiazole);2H-triazole.

Molecular Properties

Compound Name1,2,4-oxadiazole;1,2,5-oxadiazole;1,3-oxazole;bis(1H-pyrazole);bis(thiadiazole);1,2,5-thiadiazole;1,3,4-thiadiazole;bis(1,2-thiazole);bis(1,3-thiazole);2H-triazole
PubChem CID158070903
Molecular FormulaC35H38N24O3S8
Molecular Weight1099.39 g/mol
Exact Mass1098.13
IUPAC Name1,2,4-oxadiazole;1,2,5-oxadiazole;1,3-oxazole;bis(1H-pyrazole);bis(thiadiazole);1,2,5-thiadiazole;1,3,4-thiadiazole;bis(1,2-thiazole);bis(1,3-thiazole);2H-triazole
SMILESc1cn[nH]c1.c1cn[nH]c1.c1cn[nH]n1.c1cnon1.c1cnsc1.c1cnsc1.c1cnsn1.c1cocn1.c1cscn1.c1cscn1.c1csnn1.c1csnn1.c1ncon1.c1nncs1
InChIInChI=1S/2C3H4N2.C3H3NO.4C3H3NS.C2H3N3.2C2H2N2O.4C2H2N2S/c2*1-2-4-5-3-1;3*1-2-5-3-4-1;3*1-2-4-5-3-1;1-3-2-5-4-1;1-2-4-5-3-1;1-3-4-2-5-1;2*1-2-5-4-3-1;1-2-4-5-3-1/h2*1-3H,(H,4,5);5*1-3H;1-2H,(H,3,4,5);6*1-2H
InChIKeyFLUQFBAIZGQUJL-UHFFFAOYSA-N
XLogP8.16
TPSA357.48 Ų
H-Bond Donors3
H-Bond Acceptors32
Rotatable Bonds
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001099.39
LogP ≤ 58.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1032

Analyze 1,2,4-oxadiazole;1,2,5-oxadiazole;1,3-oxazole;bis(1H-pyrazole);bis(thiadiazole);1,2,5-thiadiazole;1,3,4-thiadiazole;bis(1,2-thiazole);bis(1,3-thiazole);2H-triazole with MolForge

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Related Compounds

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
1,2,4-oxadiazole;1,3-oxazole;bis(1H-pyrazole);1,2,5-thiadiazole;1,3,4-thiadiazole;bis(1,2-thiazole);bis(1,3-thiazole)
CID 157227576
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
bis(1H-imidazole);bis(1,2,4-oxadiazole);1,3,4-oxadiazole;bis(1,3-oxazole);tris(1H-pyrazole);1,2,4-thiadiazole;1,3,4-thiadiazole;bis(1,3-thiazole);1H-1,2,4-triazole
CID 158264419
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
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
1H-imidazole;octakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole
CID 159190259
1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole
CID 159452466
1,2,4-Oxadiazole;1,3-oxazole;1,2,5-thiadiazole;1,3,4-thiadiazole;bis(1,2-thiazole);bis(1,3-thiazole)
CID 159596661
1H-imidazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole
CID 159781201

Frequently Asked Questions

What is the IUPAC name of 1,2,4-oxadiazole;1,2,5-oxadiazole;1,3-oxazole;bis(1H-pyrazole);bis(thiadiazole);1,2,5-thiadiazole;1,3,4-thiadiazole;bis(1,2-thiazole);bis(1,3-thiazole);2H-triazole?
The IUPAC name of 1,2,4-oxadiazole;1,2,5-oxadiazole;1,3-oxazole;bis(1H-pyrazole);bis(thiadiazole);1,2,5-thiadiazole;1,3,4-thiadiazole;bis(1,2-thiazole);bis(1,3-thiazole);2H-triazole (CID 158070903) is 1,2,4-oxadiazole;1,2,5-oxadiazole;1,3-oxazole;bis(1H-pyrazole);bis(thiadiazole);1,2,5-thiadiazole;1,3,4-thiadiazole;bis(1,2-thiazole);bis(1,3-thiazole);2H-triazole.
What is the SMILES notation for 1,2,4-oxadiazole;1,2,5-oxadiazole;1,3-oxazole;bis(1H-pyrazole);bis(thiadiazole);1,2,5-thiadiazole;1,3,4-thiadiazole;bis(1,2-thiazole);bis(1,3-thiazole);2H-triazole?
The canonical SMILES for 1,2,4-oxadiazole;1,2,5-oxadiazole;1,3-oxazole;bis(1H-pyrazole);bis(thiadiazole);1,2,5-thiadiazole;1,3,4-thiadiazole;bis(1,2-thiazole);bis(1,3-thiazole);2H-triazole is c1cn[nH]c1.c1cn[nH]c1.c1cn[nH]n1.c1cnon1.c1cnsc1.c1cnsc1.c1cnsn1.c1cocn1.c1cscn1.c1cscn1.c1csnn1.c1csnn1.c1ncon1.c1nncs1.
What is the InChIKey of 1,2,4-oxadiazole;1,2,5-oxadiazole;1,3-oxazole;bis(1H-pyrazole);bis(thiadiazole);1,2,5-thiadiazole;1,3,4-thiadiazole;bis(1,2-thiazole);bis(1,3-thiazole);2H-triazole?
The InChIKey is FLUQFBAIZGQUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H4N2.C3H3NO.4C3H3NS.C2H3N3.2C2H2N2O.4C2H2N2S/c2*1-2-4-5-3-1;3*1-2-5-3-4-1;3*1-2-4-5-3-1;1-3-2-5-4-1;1-2-4-5-3-1;1-3-4-2-5-1;2*1-2-5-4-3-1;1-2-4-5-3-1/h2*1-3H,(H,4,5);5*1-3H;1-2H,(H,3,4,5);6*1-2H.
What are the key properties of 1,2,4-oxadiazole;1,2,5-oxadiazole;1,3-oxazole;bis(1H-pyrazole);bis(thiadiazole);1,2,5-thiadiazole;1,3,4-thiadiazole;bis(1,2-thiazole);bis(1,3-thiazole);2H-triazole?
1,2,4-oxadiazole;1,2,5-oxadiazole;1,3-oxazole;bis(1H-pyrazole);bis(thiadiazole);1,2,5-thiadiazole;1,3,4-thiadiazole;bis(1,2-thiazole);bis(1,3-thiazole);2H-triazole has a molecular weight of 1099.39 g/mol, XLogP of 8.16, 0 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-oxadiazole;1,2,5-oxadiazole;1,3-oxazole;bis(1H-pyrazole);bis(thiadiazole);1,2,5-thiadiazole;1,3,4-thiadiazole;bis(1,2-thiazole);bis(1,3-thiazole);2H-triazole is sourced from PubChem (CID 158070903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).