2-[2-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]-1,3-oxazole

C28H20N12O2S — CID 140997005

IUPAC2-[2-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]-1,3-oxazole
SMILESc1cnc(S2(c3cnccn3)(c3cccnn3)(c3ccc[nH]3)C(c3ccon3)=NC(c3ncco3)=C2c2ccn[nH]2)nc1
InChIInChI=1S/C28H20N12O2S/c1-4-21(30-8-1)43(22-5-2-11-35-39-22,23-18-29-13-14-31-23,28-33-9-3-10-34-28)25(19-6-12-36-38-19)24(26-32-15-17-41-26)37-27(43)20-7-16-42-40-20/h1-18,30H,(H,36,38)
InChIKeyWHYCOEBTJUVKGQ-UHFFFAOYSA-N
MW588.62 g/mol
LogP4.48
Rot. Bonds7

About 2-[2-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]-1,3-oxazole

2-[2-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]-1,3-oxazole (PubChem CID 140997005) has the molecular formula C28H20N12O2S and a molecular weight of 588.62 g/mol. Its IUPAC name is 2-[2-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]-1,3-oxazole
PubChem CID140997005
Molecular FormulaC28H20N12O2S
Molecular Weight588.62 g/mol
Exact Mass588.16
IUPAC Name2-[2-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]-1,3-oxazole
SMILESc1cnc(S2(c3cnccn3)(c3cccnn3)(c3ccc[nH]3)C(c3ccon3)=NC(c3ncco3)=C2c2ccn[nH]2)nc1
InChIInChI=1S/C28H20N12O2S/c1-4-21(30-8-1)43(22-5-2-11-35-39-22,23-18-29-13-14-31-23,28-33-9-3-10-34-28)25(19-6-12-36-38-19)24(26-32-15-17-41-26)37-27(43)20-7-16-42-40-20/h1-18,30H,(H,36,38)
InChIKeyWHYCOEBTJUVKGQ-UHFFFAOYSA-N
XLogP4.48
TPSA186.23 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.62
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[2-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-1-pyridin-2-yl-1-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-3H-1,3-thiazol-4-yl]-1,3-oxazole
CID 141011422
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
4-[4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-1-pyridin-2-yl-1-pyrimidin-2-yl-1-(2H-tetrazol-5-yl)-2-(2H-triazol-4-yl)-3H-thiadiazol-1-yl]oxadiazole
CID 141072062
2-[2-methyl-5-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-1-pyridazin-3-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1-(triazin-4-yl)-3H-1,3-thiazol-1-yl]-1,3-oxazole
CID 141184248
2-[1-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-1-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-3H-thiadiazol-5-yl]-1,3-oxazole
CID 141192975
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
benzene;4,5-dihydropyridazine;1,2-dihydropyridine;furan;1,2-oxazole;1,3-oxazole;piperazine;1H-pyrazole;pyridine;pyrimidine;1,3-thiazole;thiophene;2H-triazole
CID 157591721

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]-1,3-oxazole?
The IUPAC name of 2-[2-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]-1,3-oxazole (CID 140997005) is 2-[2-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]-1,3-oxazole.
What is the SMILES notation for 2-[2-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]-1,3-oxazole?
The canonical SMILES for 2-[2-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]-1,3-oxazole is c1cnc(S2(c3cnccn3)(c3cccnn3)(c3ccc[nH]3)C(c3ccon3)=NC(c3ncco3)=C2c2ccn[nH]2)nc1.
What is the InChIKey of 2-[2-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]-1,3-oxazole?
The InChIKey is WHYCOEBTJUVKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N12O2S/c1-4-21(30-8-1)43(22-5-2-11-35-39-22,23-18-29-13-14-31-23,28-33-9-3-10-34-28)25(19-6-12-36-38-19)24(26-32-15-17-41-26)37-27(43)20-7-16-42-40-20/h1-18,30H,(H,36,38).
What are the key properties of 2-[2-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]-1,3-oxazole?
2-[2-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]-1,3-oxazole has a molecular weight of 588.62 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2-oxazol-3-yl)-1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]-1,3-oxazole is sourced from PubChem (CID 140997005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).