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

C30H33N13O3S4 — CID 158423438

IUPAC1H-imidazole;bis(1,2-oxazole);1,3-oxazole;bis(1H-pyrazole);bis(1,2-thiazole);bis(1,3-thiazole)
SMILESc1c[nH]cn1.c1cn[nH]c1.c1cn[nH]c1.c1cnoc1.c1cnoc1.c1cnsc1.c1cnsc1.c1cocn1.c1cscn1.c1cscn1
InChIInChI=1S/3C3H4N2.3C3H3NO.4C3H3NS/c1-2-5-3-4-1;2*1-2-4-5-3-1;1-2-5-3-4-1;2*1-2-4-5-3-1;2*1-2-5-3-4-1;2*1-2-4-5-3-1/h3*1-3H,(H,4,5);7*1-3H
InChIKeyHATLMTKKMFKMJY-UHFFFAOYSA-N
MW751.95 g/mol
LogP7.83
Rot. Bonds

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

1H-imidazole;bis(1,2-oxazole);1,3-oxazole;bis(1H-pyrazole);bis(1,2-thiazole);bis(1,3-thiazole) (PubChem CID 158423438) has the molecular formula C30H33N13O3S4 and a molecular weight of 751.95 g/mol. Its IUPAC name is 1H-imidazole;bis(1,2-oxazole);1,3-oxazole;bis(1H-pyrazole);bis(1,2-thiazole);bis(1,3-thiazole).

Molecular Properties

Compound Name1H-imidazole;bis(1,2-oxazole);1,3-oxazole;bis(1H-pyrazole);bis(1,2-thiazole);bis(1,3-thiazole)
PubChem CID158423438
Molecular FormulaC30H33N13O3S4
Molecular Weight751.95 g/mol
Exact Mass751.17
IUPAC Name1H-imidazole;bis(1,2-oxazole);1,3-oxazole;bis(1H-pyrazole);bis(1,2-thiazole);bis(1,3-thiazole)
SMILESc1c[nH]cn1.c1cn[nH]c1.c1cn[nH]c1.c1cnoc1.c1cnoc1.c1cnsc1.c1cnsc1.c1cocn1.c1cscn1.c1cscn1
InChIInChI=1S/3C3H4N2.3C3H3NO.4C3H3NS/c1-2-5-3-4-1;2*1-2-4-5-3-1;1-2-5-3-4-1;2*1-2-4-5-3-1;2*1-2-5-3-4-1;2*1-2-4-5-3-1/h3*1-3H,(H,4,5);7*1-3H
InChIKeyHATLMTKKMFKMJY-UHFFFAOYSA-N
XLogP7.83
TPSA215.69 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500751.95
LogP ≤ 57.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

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Related Compounds

1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole
CID 66973871
2-[2-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-1-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-1,3,4-thiadiazol-1-yl]-1,3-oxazole
CID 141099587
4-[5-(1H-imidazol-2-yloxy)-3-(1,2-oxazol-3-yloxy)-4-(1,3-oxazol-2-yloxy)-1-(1H-pyrazol-5-yloxy)-5-(1,3-thiazol-2-yloxy)tetrazolidin-2-yl]oxyoxadiazole
CID 141137270
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
5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole
CID 157114843
methane;pentakis(2-methylpropane);1,2-oxazole;1,3-oxazole;1H-pyrazole;1,3-thiazole;1H-1,2,4-triazole
CID 157192021
5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1,2,4-thiadiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole
CID 157203556
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
1H-imidazole;oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole;tris(1H-1,2,4-triazole);bis(2H-triazole)
CID 157414668
Dodecakis(2-methylpropane);oxadiazole;1,2,4-oxadiazole;bis(1,2,5-oxadiazole);1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole
CID 157625875
ethane;1H-imidazole;pentadecakis(2-methylpropane);1-methyl-5-propan-2-yltetrazole;1-methyl-4-propan-2-yltriazole;oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4-propan-2-yloxadiazole;5-propan-2-yloxatriazole;4-propan-2-ylthiadiazole;5-propan-2-ylthiatriazole;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 157702450
5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole
CID 157823129

Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;bis(1,2-oxazole);1,3-oxazole;bis(1H-pyrazole);bis(1,2-thiazole);bis(1,3-thiazole)?
The IUPAC name of 1H-imidazole;bis(1,2-oxazole);1,3-oxazole;bis(1H-pyrazole);bis(1,2-thiazole);bis(1,3-thiazole) (CID 158423438) is 1H-imidazole;bis(1,2-oxazole);1,3-oxazole;bis(1H-pyrazole);bis(1,2-thiazole);bis(1,3-thiazole).
What is the SMILES notation for 1H-imidazole;bis(1,2-oxazole);1,3-oxazole;bis(1H-pyrazole);bis(1,2-thiazole);bis(1,3-thiazole)?
The canonical SMILES for 1H-imidazole;bis(1,2-oxazole);1,3-oxazole;bis(1H-pyrazole);bis(1,2-thiazole);bis(1,3-thiazole) is c1c[nH]cn1.c1cn[nH]c1.c1cn[nH]c1.c1cnoc1.c1cnoc1.c1cnsc1.c1cnsc1.c1cocn1.c1cscn1.c1cscn1.
What is the InChIKey of 1H-imidazole;bis(1,2-oxazole);1,3-oxazole;bis(1H-pyrazole);bis(1,2-thiazole);bis(1,3-thiazole)?
The InChIKey is HATLMTKKMFKMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H4N2.3C3H3NO.4C3H3NS/c1-2-5-3-4-1;2*1-2-4-5-3-1;1-2-5-3-4-1;2*1-2-4-5-3-1;2*1-2-5-3-4-1;2*1-2-4-5-3-1/h3*1-3H,(H,4,5);7*1-3H.
What are the key properties of 1H-imidazole;bis(1,2-oxazole);1,3-oxazole;bis(1H-pyrazole);bis(1,2-thiazole);bis(1,3-thiazole)?
1H-imidazole;bis(1,2-oxazole);1,3-oxazole;bis(1H-pyrazole);bis(1,2-thiazole);bis(1,3-thiazole) has a molecular weight of 751.95 g/mol, XLogP of 7.83, 0 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;bis(1,2-oxazole);1,3-oxazole;bis(1H-pyrazole);bis(1,2-thiazole);bis(1,3-thiazole) is sourced from PubChem (CID 158423438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).