2-[4-(1H-pyrazol-5-yl)-1H-imidazol-5-yl]-4-[4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,3-oxazole

C15H9N7O2S — CID 136628730

IUPAC2-[4-(1H-pyrazol-5-yl)-1H-imidazol-5-yl]-4-[4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,3-oxazole
SMILESc1cc(-c2nc[nH]c2-c2nc(-c3nocc3-c3nccs3)co2)[nH]n1
InChIInChI=1S/C15H9N7O2S/c1-2-19-21-9(1)12-13(18-7-17-12)14-20-10(6-23-14)11-8(5-24-22-11)15-16-3-4-25-15/h1-7H,(H,17,18)(H,19,21)
InChIKeyBFKXKFVXKLSCOA-UHFFFAOYSA-N
MW351.35 g/mol
LogP3.23
Rot. Bonds4

About 2-[4-(1H-pyrazol-5-yl)-1H-imidazol-5-yl]-4-[4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,3-oxazole

2-[4-(1H-pyrazol-5-yl)-1H-imidazol-5-yl]-4-[4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,3-oxazole (PubChem CID 136628730) has the molecular formula C15H9N7O2S and a molecular weight of 351.35 g/mol. Its IUPAC name is 2-[4-(1H-pyrazol-5-yl)-1H-imidazol-5-yl]-4-[4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[4-(1H-pyrazol-5-yl)-1H-imidazol-5-yl]-4-[4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,3-oxazole
PubChem CID136628730
Molecular FormulaC15H9N7O2S
Molecular Weight351.35 g/mol
Exact Mass351.05
IUPAC Name2-[4-(1H-pyrazol-5-yl)-1H-imidazol-5-yl]-4-[4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,3-oxazole
SMILESc1cc(-c2nc[nH]c2-c2nc(-c3nocc3-c3nccs3)co2)[nH]n1
InChIInChI=1S/C15H9N7O2S/c1-2-19-21-9(1)12-13(18-7-17-12)14-20-10(6-23-14)11-8(5-24-22-11)15-16-3-4-25-15/h1-7H,(H,17,18)(H,19,21)
InChIKeyBFKXKFVXKLSCOA-UHFFFAOYSA-N
XLogP3.23
TPSA122.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-(1H-pyrazol-5-yl)-1H-imidazol-5-yl]-4-[4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,3-oxazole with MolForge

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Related Compounds

5-[5-(4-pyrazin-2-ylpyridazin-3-yl)thiadiazol-4-yl]-4-[5-[4-[2-[2-[3-[2-[3-[2-[4-(1H-pyrazol-3-yl)-1H-imidazol-5-yl]-1,3-oxazol-4-yl]-1,2-oxazol-4-yl]-1,3-thiazol-4-yl]-1,2-thiazol-4-yl]-3-pyridinyl]pyrimidin-4-yl]-1H-triazol-5-yl]tetrazol-1-yl]oxadiazole
CID 123662643
2-[2-[5-(1H-pyrrol-3-yl)-1H-pyrazol-4-yl]-1H-imidazol-5-yl]-4-[4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,3-oxazole
CID 136170764
2-[4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]-4-(1,2-oxazol-3-yl)-1,3-oxazole
CID 136650514
2-[2-[2-[3-[4-(1H-pyrazol-5-yl)-1,2-thiazol-5-yl]-1,2-oxazol-4-yl]-1,3-thiazol-4-yl]-1H-imidazol-5-yl]-4-(1H-pyrrol-2-yl)-1,3-oxazole
CID 136654843
4-(1,2-thiazol-3-yl)-3-[5-[2-[2-[2-(thiolan-2-yl)-1,3-oxazol-4-yl]-1,3-thiazol-4-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-1,2-oxazole
CID 137076653
2-[6-benzyl-6-(furan-2-yl)-3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-2-(1,3-thiazol-2-yl)cyclohexa-1,3-dien-1-yl]-1,3-oxazole
CID 140986989
3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-4-[4-(1H-pyrrol-2-yl)-1,2-thiazol-3-yl]-4-(1,3-thiazol-2-yl)oxadiazolidine
CID 141123637
2-[[2-(1H-imidazol-2-ylmethyl)-3-(1,2-oxazol-3-ylmethyl)-6-(1H-pyrazol-5-ylmethyl)-5-(thiophen-2-ylmethyl)-4-pyridinyl]methyl]-1,3-oxazole
CID 141212955
2-[4-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-6-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)pyrazin-2-yl]-1,3-oxazole
CID 141266509
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
2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;molecular hydrogen
CID 157449651
2-methylfuran;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;bis(5-methyl-1H-1,2,4-triazole);toluene
CID 157556646

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-pyrazol-5-yl)-1H-imidazol-5-yl]-4-[4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,3-oxazole?
The IUPAC name of 2-[4-(1H-pyrazol-5-yl)-1H-imidazol-5-yl]-4-[4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,3-oxazole (CID 136628730) is 2-[4-(1H-pyrazol-5-yl)-1H-imidazol-5-yl]-4-[4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,3-oxazole.
What is the SMILES notation for 2-[4-(1H-pyrazol-5-yl)-1H-imidazol-5-yl]-4-[4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,3-oxazole?
The canonical SMILES for 2-[4-(1H-pyrazol-5-yl)-1H-imidazol-5-yl]-4-[4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,3-oxazole is c1cc(-c2nc[nH]c2-c2nc(-c3nocc3-c3nccs3)co2)[nH]n1.
What is the InChIKey of 2-[4-(1H-pyrazol-5-yl)-1H-imidazol-5-yl]-4-[4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,3-oxazole?
The InChIKey is BFKXKFVXKLSCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N7O2S/c1-2-19-21-9(1)12-13(18-7-17-12)14-20-10(6-23-14)11-8(5-24-22-11)15-16-3-4-25-15/h1-7H,(H,17,18)(H,19,21).
What are the key properties of 2-[4-(1H-pyrazol-5-yl)-1H-imidazol-5-yl]-4-[4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,3-oxazole?
2-[4-(1H-pyrazol-5-yl)-1H-imidazol-5-yl]-4-[4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,3-oxazole has a molecular weight of 351.35 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-pyrazol-5-yl)-1H-imidazol-5-yl]-4-[4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,3-oxazole is sourced from PubChem (CID 136628730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).