furan;1H-imidazole;undecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;3H-1,2,4-triazole

C74H142N16O5S4 — CID 157128700

IUPACfuran;1H-imidazole;undecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;3H-1,2,4-triazole
SMILESC1=NCN=N1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1c[nH]cn1.c1ccoc1.c1ccsc1.c1cnoc1.c1cocn1.c1cscn1.c1ncon1.c1ncsn1.c1nnco1.c1nncs1
InChIInChI=1S/C4H4O.C4H4S.11C4H10.C3H4N2.2C3H3NO.C3H3NS.C2H3N3.2C2H2N2O.2C2H2N2S/c2*1-2-4-5-3-1;11*1-4(2)3;2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1/h2*1-4H;11*4H,1-3H3;1-3H,(H,4,5);3*1-3H;1H,2H2;4*1-2H
InChIKeyAIULDERIGYBCJP-UHFFFAOYSA-N
MW1464.32 g/mol
LogP25.87
Rot. Bonds

About furan;1H-imidazole;undecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;3H-1,2,4-triazole

furan;1H-imidazole;undecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;3H-1,2,4-triazole (PubChem CID 157128700) has the molecular formula C74H142N16O5S4 and a molecular weight of 1464.32 g/mol. Its IUPAC name is furan;1H-imidazole;undecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;3H-1,2,4-triazole.

Molecular Properties

Compound Namefuran;1H-imidazole;undecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;3H-1,2,4-triazole
PubChem CID157128700
Molecular FormulaC74H142N16O5S4
Molecular Weight1464.32 g/mol
Exact Mass1463.02
IUPAC Namefuran;1H-imidazole;undecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;3H-1,2,4-triazole
SMILESC1=NCN=N1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1c[nH]cn1.c1ccoc1.c1ccsc1.c1cnoc1.c1cocn1.c1cscn1.c1ncon1.c1ncsn1.c1nnco1.c1nncs1
InChIInChI=1S/C4H4O.C4H4S.11C4H10.C3H4N2.2C3H3NO.C3H3NS.C2H3N3.2C2H2N2O.2C2H2N2S/c2*1-2-4-5-3-1;11*1-4(2)3;2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1/h2*1-4H;11*4H,1-3H3;1-3H,(H,4,5);3*1-3H;1H,2H2;4*1-2H
InChIKeyAIULDERIGYBCJP-UHFFFAOYSA-N
XLogP25.87
TPSA273.25 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001464.32
LogP ≤ 525.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Analyze furan;1H-imidazole;undecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;3H-1,2,4-triazole with MolForge

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Related Compounds

furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
CID 69493878
furan;bis(1H-imidazole);1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;2H-pyrrole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
CID 157113155
ethane;furan;1H-imidazole;1,2,4-oxadiazole;1,3-oxazole;1H-pyrrole;1,2,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
CID 157128509
2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole;cyclopenta-1,3-diene;2,5-ditert-butyl-1,3,4-oxadiazole;3,5-ditert-butyl-1,2,4-oxadiazole;heptakis(2,2-dimethylpropane);furan
CID 157204760
furan;1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;tris(1H-1,2,4-triazole);2H-triazole
CID 157217425
ethane;furan;1H-imidazole;1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
CID 157223049
furan;1H-imidazole;bis(1,2-oxazole);1,3-oxazole;bis(1H-pyrazole);bis(1H-pyrrole);bis(1,2-thiazole);thiophene
CID 157227996
ethane;furan;pentakis(2-methylpropane);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole;1,2-thiazole;1,3-thiazole
CID 157258704
2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3,4-thiadiazole;ethane;furan;1H-imidazole;methane;nonakis(2-methylpropane);1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
CID 157502427
ethane;furan;1H-imidazole;bis(1,2-oxazole);1,3-oxazole;bis(1H-pyrazole);1H-pyrrole;1,3-thiazole;thiophene;2H-triazole
CID 157593074
2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3,4-thiadiazole;ethane;furan;1H-imidazole;methane;nonakis(2-methylpropane);1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
CID 157600123
ethane;furan;1H-imidazole;methane;octakis(2-methylpropane);1,3-oxazole;4H-pyrazole;3H-pyrrole;1,3-thiazole;thiophene;1H-1,2,4-triazole
CID 157661264

Frequently Asked Questions

What is the IUPAC name of furan;1H-imidazole;undecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;3H-1,2,4-triazole?
The IUPAC name of furan;1H-imidazole;undecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;3H-1,2,4-triazole (CID 157128700) is furan;1H-imidazole;undecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;3H-1,2,4-triazole.
What is the SMILES notation for furan;1H-imidazole;undecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;3H-1,2,4-triazole?
The canonical SMILES for furan;1H-imidazole;undecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;3H-1,2,4-triazole is C1=NCN=N1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1c[nH]cn1.c1ccoc1.c1ccsc1.c1cnoc1.c1cocn1.c1cscn1.c1ncon1.c1ncsn1.c1nnco1.c1nncs1.
What is the InChIKey of furan;1H-imidazole;undecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;3H-1,2,4-triazole?
The InChIKey is AIULDERIGYBCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O.C4H4S.11C4H10.C3H4N2.2C3H3NO.C3H3NS.C2H3N3.2C2H2N2O.2C2H2N2S/c2*1-2-4-5-3-1;11*1-4(2)3;2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1/h2*1-4H;11*4H,1-3H3;1-3H,(H,4,5);3*1-3H;1H,2H2;4*1-2H.
What are the key properties of furan;1H-imidazole;undecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;3H-1,2,4-triazole?
furan;1H-imidazole;undecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;3H-1,2,4-triazole has a molecular weight of 1464.32 g/mol, XLogP of 25.87, 0 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for furan;1H-imidazole;undecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;3H-1,2,4-triazole is sourced from PubChem (CID 157128700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).