furan;1H-imidazole;bis(1,2-oxazole);1,3-oxazole;bis(1H-pyrazole);bis(1H-pyrrole);bis(1,2-thiazole);thiophene

C48H53N13O5S4 — CID 157227996

IUPACfuran;1H-imidazole;bis(1,2-oxazole);1,3-oxazole;bis(1H-pyrazole);bis(1H-pyrrole);bis(1,2-thiazole);thiophene
SMILESc1c[nH]cn1.c1cc[nH]c1.c1cc[nH]c1.c1ccoc1.c1ccoc1.c1ccsc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]c1.c1cnoc1.c1cnoc1.c1cnsc1.c1cnsc1.c1cocn1
InChIInChI=1S/2C4H5N.2C4H4O.2C4H4S.3C3H4N2.3C3H3NO.2C3H3NS/c6*1-2-4-5-3-1;1-2-5-3-4-1;2*1-2-4-5-3-1;1-2-5-3-4-1;4*1-2-4-5-3-1/h2*1-5H;4*1-4H;3*1-3H,(H,4,5);5*1-3H
InChIKeyATTPTXUSJDEUOZ-UHFFFAOYSA-N
MW1020.31 g/mol
LogP13.62
Rot. Bonds

About furan;1H-imidazole;bis(1,2-oxazole);1,3-oxazole;bis(1H-pyrazole);bis(1H-pyrrole);bis(1,2-thiazole);thiophene

furan;1H-imidazole;bis(1,2-oxazole);1,3-oxazole;bis(1H-pyrazole);bis(1H-pyrrole);bis(1,2-thiazole);thiophene (PubChem CID 157227996) has the molecular formula C48H53N13O5S4 and a molecular weight of 1020.31 g/mol. Its IUPAC name is furan;1H-imidazole;bis(1,2-oxazole);1,3-oxazole;bis(1H-pyrazole);bis(1H-pyrrole);bis(1,2-thiazole);thiophene.

Molecular Properties

Compound Namefuran;1H-imidazole;bis(1,2-oxazole);1,3-oxazole;bis(1H-pyrazole);bis(1H-pyrrole);bis(1,2-thiazole);thiophene
PubChem CID157227996
Molecular FormulaC48H53N13O5S4
Molecular Weight1020.31 g/mol
Exact Mass1019.32
IUPAC Namefuran;1H-imidazole;bis(1,2-oxazole);1,3-oxazole;bis(1H-pyrazole);bis(1H-pyrrole);bis(1,2-thiazole);thiophene
SMILESc1c[nH]cn1.c1cc[nH]c1.c1cc[nH]c1.c1ccoc1.c1ccoc1.c1ccsc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]c1.c1cnoc1.c1cnoc1.c1cnsc1.c1cnsc1.c1cocn1
InChIInChI=1S/2C4H5N.2C4H4O.2C4H4S.3C3H4N2.3C3H3NO.2C3H3NS/c6*1-2-4-5-3-1;1-2-5-3-4-1;2*1-2-4-5-3-1;1-2-5-3-4-1;4*1-2-4-5-3-1/h2*1-5H;4*1-4H;3*1-3H,(H,4,5);5*1-3H
InChIKeyATTPTXUSJDEUOZ-UHFFFAOYSA-N
XLogP13.62
TPSA247.77 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001020.31
LogP ≤ 513.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

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Related Compounds

furan;1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene
CID 68629579
furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
CID 69493878
2-[1-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-1-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-1,3-thiazol-4-yl]-1,3-oxazole
CID 140979130
2-[1-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-1-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-4-yl]-1,3-oxazole
CID 141035146
ethane;furan;1H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole
CID 157084765
bis(4,5-dimethyloxadiazole);1,3-dimethylpyrrole;4,5-dimethyl-2H-triazole;ethane;methane;2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;5-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 157089703
furan;bis(1H-imidazole);methane;bis(1,3-oxazole);1H-pyrazole;1H-pyrrole;3H-pyrrole
CID 157098466
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
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
2,5-diethyl-1,3,4-oxadiazole;2,5-diethyl-1,3,4-thiadiazole;ethane;furan;1H-imidazole;1-methylpyrazole;1,2-oxazole;1,3-oxazole;propane;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
CID 157148408
1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene
CID 157152636

Frequently Asked Questions

What is the IUPAC name of furan;1H-imidazole;bis(1,2-oxazole);1,3-oxazole;bis(1H-pyrazole);bis(1H-pyrrole);bis(1,2-thiazole);thiophene?
The IUPAC name of furan;1H-imidazole;bis(1,2-oxazole);1,3-oxazole;bis(1H-pyrazole);bis(1H-pyrrole);bis(1,2-thiazole);thiophene (CID 157227996) is furan;1H-imidazole;bis(1,2-oxazole);1,3-oxazole;bis(1H-pyrazole);bis(1H-pyrrole);bis(1,2-thiazole);thiophene.
What is the SMILES notation for furan;1H-imidazole;bis(1,2-oxazole);1,3-oxazole;bis(1H-pyrazole);bis(1H-pyrrole);bis(1,2-thiazole);thiophene?
The canonical SMILES for furan;1H-imidazole;bis(1,2-oxazole);1,3-oxazole;bis(1H-pyrazole);bis(1H-pyrrole);bis(1,2-thiazole);thiophene is c1c[nH]cn1.c1cc[nH]c1.c1cc[nH]c1.c1ccoc1.c1ccoc1.c1ccsc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]c1.c1cnoc1.c1cnoc1.c1cnsc1.c1cnsc1.c1cocn1.
What is the InChIKey of furan;1H-imidazole;bis(1,2-oxazole);1,3-oxazole;bis(1H-pyrazole);bis(1H-pyrrole);bis(1,2-thiazole);thiophene?
The InChIKey is ATTPTXUSJDEUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H5N.2C4H4O.2C4H4S.3C3H4N2.3C3H3NO.2C3H3NS/c6*1-2-4-5-3-1;1-2-5-3-4-1;2*1-2-4-5-3-1;1-2-5-3-4-1;4*1-2-4-5-3-1/h2*1-5H;4*1-4H;3*1-3H,(H,4,5);5*1-3H.
What are the key properties of furan;1H-imidazole;bis(1,2-oxazole);1,3-oxazole;bis(1H-pyrazole);bis(1H-pyrrole);bis(1,2-thiazole);thiophene?
furan;1H-imidazole;bis(1,2-oxazole);1,3-oxazole;bis(1H-pyrazole);bis(1H-pyrrole);bis(1,2-thiazole);thiophene has a molecular weight of 1020.31 g/mol, XLogP of 13.62, 0 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for furan;1H-imidazole;bis(1,2-oxazole);1,3-oxazole;bis(1H-pyrazole);bis(1H-pyrrole);bis(1,2-thiazole);thiophene is sourced from PubChem (CID 157227996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).