4-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2-(2H-triazol-4-yl)oxadiazolidine

C22H16N12O2S — CID 141017945

IUPAC4-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2-(2H-triazol-4-yl)oxadiazolidine
SMILESc1cnnc(C2(c3nccs3)ON(c3cn[nH]n3)N(c3ccc[nH]3)C2(c2cnccn2)c2ncco2)c1
InChIInChI=1S/C22H16N12O2S/c1-3-15(30-28-6-1)22(20-27-10-12-37-20)21(19-26-9-11-35-19,16-13-23-7-8-24-16)33(17-4-2-5-25-17)34(36-22)18-14-29-32-31-18/h1-14,25H,(H,29,31,32)
InChIKeyYPPVXEONUFBCPY-UHFFFAOYSA-N
MW512.52 g/mol
LogP2.22
Rot. Bonds6

About 4-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2-(2H-triazol-4-yl)oxadiazolidine

4-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2-(2H-triazol-4-yl)oxadiazolidine (PubChem CID 141017945) has the molecular formula C22H16N12O2S and a molecular weight of 512.52 g/mol. Its IUPAC name is 4-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2-(2H-triazol-4-yl)oxadiazolidine.

Molecular Properties

Compound Name4-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2-(2H-triazol-4-yl)oxadiazolidine
PubChem CID141017945
Molecular FormulaC22H16N12O2S
Molecular Weight512.52 g/mol
Exact Mass512.12
IUPAC Name4-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2-(2H-triazol-4-yl)oxadiazolidine
SMILESc1cnnc(C2(c3nccs3)ON(c3cn[nH]n3)N(c3ccc[nH]3)C2(c2cnccn2)c2ncco2)c1
InChIInChI=1S/C22H16N12O2S/c1-3-15(30-28-6-1)22(20-27-10-12-37-20)21(19-26-9-11-35-19,16-13-23-7-8-24-16)33(17-4-2-5-25-17)34(36-22)18-14-29-32-31-18/h1-14,25H,(H,29,31,32)
InChIKeyYPPVXEONUFBCPY-UHFFFAOYSA-N
XLogP2.22
TPSA163.55 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.52
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

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Related Compounds

3-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-4-(1H-1,2,4-triazol-5-yl)-1,2-oxazolidine
CID 141019121
2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-4H-pyrimidin-2-yl]-1,3-oxazole
CID 141050925
3-(1,3-Oxazol-2-yl)-5-pyrazin-2-yl-4-pyridazin-3-yl-2-pyridin-2-yl-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2-oxazolidine
CID 141051114
2-[5-(1H-imidazol-2-yl)-3-pyridin-2-yl-2-pyrimidin-2-yl-2-(2H-tetrazol-5-yl)-4-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-1,3-oxazole
CID 141079867
4-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-1,2-oxazolidine
CID 141160386
3-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)-1,2-oxazole
CID 141189069
2-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-4-(5-pyrimidin-2-yl-1H-imidazol-2-yl)-5-(1,3-thiazol-2-yl)-3-(triazin-4-yl)oxadiazolidine
CID 141190251
5-(1H-imidazol-2-yl)-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-4-(1,3-oxazol-2-yl)-5-(thiadiazol-4-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine
CID 141196740
3-[4-(1,3-oxazol-2-yl)-2,4-bis(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)triazolidin-1-yl]-1,2,5-oxadiazole
CID 141207619
3-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-1,2-oxazolidine
CID 141283210
4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-5-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine
CID 141325334
2-[1-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-3-(triazin-4-yl)-4-(2H-triazol-4-yl)pyrazin-2-yl]-1,3-oxazole
CID 141429361

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2-(2H-triazol-4-yl)oxadiazolidine?
The IUPAC name of 4-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2-(2H-triazol-4-yl)oxadiazolidine (CID 141017945) is 4-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2-(2H-triazol-4-yl)oxadiazolidine.
What is the SMILES notation for 4-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2-(2H-triazol-4-yl)oxadiazolidine?
The canonical SMILES for 4-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2-(2H-triazol-4-yl)oxadiazolidine is c1cnnc(C2(c3nccs3)ON(c3cn[nH]n3)N(c3ccc[nH]3)C2(c2cnccn2)c2ncco2)c1.
What is the InChIKey of 4-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2-(2H-triazol-4-yl)oxadiazolidine?
The InChIKey is YPPVXEONUFBCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N12O2S/c1-3-15(30-28-6-1)22(20-27-10-12-37-20)21(19-26-9-11-35-19,16-13-23-7-8-24-16)33(17-4-2-5-25-17)34(36-22)18-14-29-32-31-18/h1-14,25H,(H,29,31,32).
What are the key properties of 4-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2-(2H-triazol-4-yl)oxadiazolidine?
4-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2-(2H-triazol-4-yl)oxadiazolidine has a molecular weight of 512.52 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2-(2H-triazol-4-yl)oxadiazolidine is sourced from PubChem (CID 141017945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).