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

C23H13N9O3S2 — CID 141305426

IUPAC3-[3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-6-pyridin-2-yl-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)pyridazin-1-yl]-1,2,5-oxadiazole
SMILESc1ccc(C2=C(c3ccsn3)C(c3nccs3)=C(c3ccon3)N(c3ncco3)N2c2cnon2)nc1
InChIInChI=1S/C23H13N9O3S2/c1-2-6-24-15(3-1)20-18(14-5-11-37-30-14)19(22-25-8-12-36-22)21(16-4-9-34-28-16)32(23-26-7-10-33-23)31(20)17-13-27-35-29-17/h1-13H
InChIKeyGVLPMHHRWGTQOM-UHFFFAOYSA-N
MW527.55 g/mol
LogP4.73
Rot. Bonds6

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

3-[3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-6-pyridin-2-yl-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)pyridazin-1-yl]-1,2,5-oxadiazole (PubChem CID 141305426) has the molecular formula C23H13N9O3S2 and a molecular weight of 527.55 g/mol. Its IUPAC name is 3-[3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-6-pyridin-2-yl-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)pyridazin-1-yl]-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-[3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-6-pyridin-2-yl-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)pyridazin-1-yl]-1,2,5-oxadiazole
PubChem CID141305426
Molecular FormulaC23H13N9O3S2
Molecular Weight527.55 g/mol
Exact Mass527.06
IUPAC Name3-[3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-6-pyridin-2-yl-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)pyridazin-1-yl]-1,2,5-oxadiazole
SMILESc1ccc(C2=C(c3ccsn3)C(c3nccs3)=C(c3ccon3)N(c3ncco3)N2c2cnon2)nc1
InChIInChI=1S/C23H13N9O3S2/c1-2-6-24-15(3-1)20-18(14-5-11-37-30-14)19(22-25-8-12-36-22)21(16-4-9-34-28-16)32(23-26-7-10-33-23)31(20)17-13-27-35-29-17/h1-13H
InChIKeyGVLPMHHRWGTQOM-UHFFFAOYSA-N
XLogP4.73
TPSA136.13 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.55
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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

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Related Compounds

2-[5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-1-yl]-1,3-oxazole
CID 140970264
2-[1-(1,2-oxazol-3-yl)-2-pyrazin-2-yl-4-pyridin-2-yl-3-(2H-tetrazol-5-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-4H-pyrimidin-2-yl]-1,3-oxazole
CID 140981688
2-[6-(1,2-oxazol-3-yl)-4-pyridin-2-yl-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4H-pyridazin-1-yl]-1,3-oxazole
CID 140985954
2-[4-(1,2-oxazol-3-yl)-2-(1,2-thiazol-3-yl)-3,6-bis(1,3-thiazol-2-yl)-1-(2H-triazol-4-yl)-2H-pyridin-5-yl]-1,3-oxazole
CID 140998091
4-[6-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-2-(thiadiazol-4-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2H-pyridin-3-yl]oxadiazole
CID 140998454
4-[1-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-5-(thiadiazol-4-yl)-3-(1,3-thiazol-2-yl)-3-(triazin-4-yl)-4H-1,2,4-triazin-6-yl]oxadiazole
CID 140998525
2-[6-(1,2-Oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yltriazin-1-yl]-1,3-oxazole
CID 141019118
2-[4-(1,2-oxazol-3-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2-thiophen-2-yl-4H-pyrimidin-5-yl]-1,3-oxazole
CID 141019119
2-[6-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)-4H-triazin-1-yl]-1,3-oxazole
CID 141019125
2-[3-(1H-imidazol-2-yl)-6-(1,2-oxazol-3-yl)-2-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-1-pyridinyl]-1,3-oxazole
CID 141099595
2-[4-(1,2-oxazol-3-yl)-2-(1H-pyrazol-5-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-3-thiophen-2-ylimidazol-1-yl]-1,3-oxazole
CID 141195799
2-[3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole
CID 141418239

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-6-pyridin-2-yl-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)pyridazin-1-yl]-1,2,5-oxadiazole?
The IUPAC name of 3-[3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-6-pyridin-2-yl-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)pyridazin-1-yl]-1,2,5-oxadiazole (CID 141305426) is 3-[3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-6-pyridin-2-yl-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)pyridazin-1-yl]-1,2,5-oxadiazole.
What is the SMILES notation for 3-[3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-6-pyridin-2-yl-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)pyridazin-1-yl]-1,2,5-oxadiazole?
The canonical SMILES for 3-[3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-6-pyridin-2-yl-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)pyridazin-1-yl]-1,2,5-oxadiazole is c1ccc(C2=C(c3ccsn3)C(c3nccs3)=C(c3ccon3)N(c3ncco3)N2c2cnon2)nc1.
What is the InChIKey of 3-[3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-6-pyridin-2-yl-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)pyridazin-1-yl]-1,2,5-oxadiazole?
The InChIKey is GVLPMHHRWGTQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13N9O3S2/c1-2-6-24-15(3-1)20-18(14-5-11-37-30-14)19(22-25-8-12-36-22)21(16-4-9-34-28-16)32(23-26-7-10-33-23)31(20)17-13-27-35-29-17/h1-13H.
What are the key properties of 3-[3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-6-pyridin-2-yl-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)pyridazin-1-yl]-1,2,5-oxadiazole?
3-[3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-6-pyridin-2-yl-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)pyridazin-1-yl]-1,2,5-oxadiazole has a molecular weight of 527.55 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-6-pyridin-2-yl-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)pyridazin-1-yl]-1,2,5-oxadiazole is sourced from PubChem (CID 141305426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).