4-[6-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-6-pyridazin-3-yl-3-pyridin-2-yl-5-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)triazin-1-yl]oxadiazole

C28H18N14O2S — CID 141061490

IUPAC4-[6-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-6-pyridazin-3-yl-3-pyridin-2-yl-5-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)triazin-1-yl]oxadiazole
SMILESc1ccc(N2C(c3cnccn3)=C(c3ncccn3)C(c3cccnn3)(c3ncco3)N(c3conn3)N2c2nccs2)nc1
InChIInChI=1S/C28H18N14O2S/c1-2-7-31-21(6-1)40-24(19-17-29-11-12-30-19)23(25-32-8-4-9-33-25)28(26-34-13-15-43-26,20-5-3-10-36-37-20)41(22-18-44-39-38-22)42(40)27-35-14-16-45-27/h1-18H
InChIKeyHYEXYHWQIMIWNL-UHFFFAOYSA-N
MW614.62 g/mol
LogP3.45
Rot. Bonds7

About 4-[6-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-6-pyridazin-3-yl-3-pyridin-2-yl-5-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)triazin-1-yl]oxadiazole

4-[6-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-6-pyridazin-3-yl-3-pyridin-2-yl-5-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)triazin-1-yl]oxadiazole (PubChem CID 141061490) has the molecular formula C28H18N14O2S and a molecular weight of 614.62 g/mol. Its IUPAC name is 4-[6-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-6-pyridazin-3-yl-3-pyridin-2-yl-5-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)triazin-1-yl]oxadiazole.

Molecular Properties

Compound Name4-[6-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-6-pyridazin-3-yl-3-pyridin-2-yl-5-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)triazin-1-yl]oxadiazole
PubChem CID141061490
Molecular FormulaC28H18N14O2S
Molecular Weight614.62 g/mol
Exact Mass614.15
IUPAC Name4-[6-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-6-pyridazin-3-yl-3-pyridin-2-yl-5-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)triazin-1-yl]oxadiazole
SMILESc1ccc(N2C(c3cnccn3)=C(c3ncccn3)C(c3cccnn3)(c3ncco3)N(c3conn3)N2c2nccs2)nc1
InChIInChI=1S/C28H18N14O2S/c1-2-7-31-21(6-1)40-24(19-17-29-11-12-30-19)23(25-32-8-4-9-33-25)28(26-34-13-15-43-26,20-5-3-10-36-37-20)41(22-18-44-39-38-22)42(40)27-35-14-16-45-27/h1-18H
InChIKeyHYEXYHWQIMIWNL-UHFFFAOYSA-N
XLogP3.45
TPSA177.79 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.62
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 4-[6-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-6-pyridazin-3-yl-3-pyridin-2-yl-5-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)triazin-1-yl]oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

2-[1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)imidazolidin-2-yl]-1,3-oxazole
CID 140973168
4-pyrazin-2-yl-3-[4-(1H-pyrazol-5-yl)-1,3-oxazol-2-yl]-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1,2,5-oxadiazolidine
CID 141018478
2-[4-pyrazin-2-yl-6-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-2-(thiadiazol-4-yl)-4-(1,2-thiazol-3-yl)-3-(2H-triazol-4-yl)triazinan-5-yl]-1,3-oxazole
CID 141396578
Tert-butylbenzene;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;ethane
CID 157698182
methane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);2-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;toluene
CID 158226330
1-Methylimidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methylpyrrole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole
CID 158467543
bis(2-tert-butyl-4,5-dihydropyrimidine);bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;bis(2-tert-butylpyrimidine);5-tert-butylpyrimidine;1-tert-butylpyrrole;bis(2-tert-butyl-1,3-thiazole);3-tert-butyl-1,2,4-triazine;6-tert-butyl-1,2,4-triazine;methane;2-methyl-1,3-oxazole
CID 159455611
1,2-Dimethylimidazole;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyrimidine;2-methyl-1,3-thiazole;1-methyl-1,2,4-triazole
CID 160653083
1,2-Dimethylimidazole;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole;1-methyl-1,2,4-triazole
CID 160990208
bis(2-tert-butyl-4,5-dihydropyrimidine);bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;bis(2-tert-butylpyrimidine);5-tert-butylpyrimidine;1-tert-butylpyrrole;bis(2-tert-butyl-1,3-thiazole);3-tert-butyl-1,2,4-triazine;6-tert-butyl-1,2,4-triazine;2-methyl-1,3-oxazole
CID 161074470
bis(2-methyl-4H-imidazole);2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;bis(2-methyl-1,3-thiazole)
CID 162162241
CID 167565836
CID 167565836

Frequently Asked Questions

What is the IUPAC name of 4-[6-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-6-pyridazin-3-yl-3-pyridin-2-yl-5-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)triazin-1-yl]oxadiazole?
The IUPAC name of 4-[6-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-6-pyridazin-3-yl-3-pyridin-2-yl-5-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)triazin-1-yl]oxadiazole (CID 141061490) is 4-[6-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-6-pyridazin-3-yl-3-pyridin-2-yl-5-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)triazin-1-yl]oxadiazole.
What is the SMILES notation for 4-[6-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-6-pyridazin-3-yl-3-pyridin-2-yl-5-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)triazin-1-yl]oxadiazole?
The canonical SMILES for 4-[6-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-6-pyridazin-3-yl-3-pyridin-2-yl-5-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)triazin-1-yl]oxadiazole is c1ccc(N2C(c3cnccn3)=C(c3ncccn3)C(c3cccnn3)(c3ncco3)N(c3conn3)N2c2nccs2)nc1.
What is the InChIKey of 4-[6-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-6-pyridazin-3-yl-3-pyridin-2-yl-5-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)triazin-1-yl]oxadiazole?
The InChIKey is HYEXYHWQIMIWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N14O2S/c1-2-7-31-21(6-1)40-24(19-17-29-11-12-30-19)23(25-32-8-4-9-33-25)28(26-34-13-15-43-26,20-5-3-10-36-37-20)41(22-18-44-39-38-22)42(40)27-35-14-16-45-27/h1-18H.
What are the key properties of 4-[6-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-6-pyridazin-3-yl-3-pyridin-2-yl-5-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)triazin-1-yl]oxadiazole?
4-[6-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-6-pyridazin-3-yl-3-pyridin-2-yl-5-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)triazin-1-yl]oxadiazole has a molecular weight of 614.62 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-6-pyridazin-3-yl-3-pyridin-2-yl-5-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)triazin-1-yl]oxadiazole is sourced from PubChem (CID 141061490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).