bis(1H-imidazole);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole

C23H27N13O3S — CID 157469824

IUPACbis(1H-imidazole);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole
SMILESc1c[nH]cn1.c1c[nH]cn1.c1cc[nH]c1.c1cn[nH]c1.c1cocn1.c1cscn1.c1ncon1.c1nnco1
InChIInChI=1S/C4H5N.3C3H4N2.C3H3NO.C3H3NS.2C2H2N2O/c1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-3-4-2-5-1;1-3-2-5-4-1/h1-5H;3*1-3H,(H,4,5);2*1-3H;2*1-2H
InChIKeyBUXBRLQIVHXPOE-UHFFFAOYSA-N
MW565.62 g/mol
LogP4.20
Rot. Bonds

About bis(1H-imidazole);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole

bis(1H-imidazole);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole (PubChem CID 157469824) has the molecular formula C23H27N13O3S and a molecular weight of 565.62 g/mol. Its IUPAC name is bis(1H-imidazole);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole.

Molecular Properties

Compound Namebis(1H-imidazole);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole
PubChem CID157469824
Molecular FormulaC23H27N13O3S
Molecular Weight565.62 g/mol
Exact Mass565.21
IUPAC Namebis(1H-imidazole);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole
SMILESc1c[nH]cn1.c1c[nH]cn1.c1cc[nH]c1.c1cn[nH]c1.c1cocn1.c1cscn1.c1ncon1.c1nnco1
InChIInChI=1S/C4H5N.3C3H4N2.C3H3NO.C3H3NS.2C2H2N2O/c1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-3-4-2-5-1;1-3-2-5-4-1/h1-5H;3*1-3H,(H,4,5);2*1-3H;2*1-2H
InChIKeyBUXBRLQIVHXPOE-UHFFFAOYSA-N
XLogP4.20
TPSA218.59 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.62
LogP ≤ 54.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

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Related Compounds

1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene
CID 68753727
4-[3-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)tetrazolidin-1-yl]oxadiazole
CID 91433419
2-N-[(1H-imidazol-2-ylamino)-[4-(1H-pyrrol-2-ylamino)-1H-pyrazol-3-yl]amino]-4-N-(1H-tetrazol-5-yl)-2-N-(1,3-thiazol-2-ylamino)-5-N-(1H-triazol-4-yl)-1,3-oxazole-2,4,5-triamine
CID 152525851
1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene
CID 157152636
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
2,2-dimethylpropane;nonakis(2-methylpropane);1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole
CID 157616239
nonakis(2,2-dimethylpropane);1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;pyrrolidine;2H-tetrazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole
CID 157676733
1H-imidazole;1,3-oxazole;1H-pyrrole;1,3-thiazole
CID 157741645
cyclopentene;2,3-dihydrofuran;1,3-dioxole;ethane;1H-imidazole;N-(2-iminoethylidene)thiohydroxylamine;1,3-oxazole;3H-1,3-oxazol-2-one;1H-pyrazole;1H-pyrrole;1,3-thiazole;thiophene 1,1-dioxide;2H-triazole
CID 158042987
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
1-Methylimidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole
CID 158334274
1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole
CID 158351390

Frequently Asked Questions

What is the IUPAC name of bis(1H-imidazole);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole?
The IUPAC name of bis(1H-imidazole);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole (CID 157469824) is bis(1H-imidazole);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole.
What is the SMILES notation for bis(1H-imidazole);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole?
The canonical SMILES for bis(1H-imidazole);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole is c1c[nH]cn1.c1c[nH]cn1.c1cc[nH]c1.c1cn[nH]c1.c1cocn1.c1cscn1.c1ncon1.c1nnco1.
What is the InChIKey of bis(1H-imidazole);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole?
The InChIKey is BUXBRLQIVHXPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.3C3H4N2.C3H3NO.C3H3NS.2C2H2N2O/c1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-3-4-2-5-1;1-3-2-5-4-1/h1-5H;3*1-3H,(H,4,5);2*1-3H;2*1-2H.
What are the key properties of bis(1H-imidazole);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole?
bis(1H-imidazole);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole has a molecular weight of 565.62 g/mol, XLogP of 4.20, 0 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-imidazole);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole is sourced from PubChem (CID 157469824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).