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

C25H14N10O3S2 — CID 141196724

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

4-[2-(2H-isoindol-1-yl)-3-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-6-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)pyridazin-4-yl]oxadiazole (PubChem CID 141196724) has the molecular formula C25H14N10O3S2 and a molecular weight of 566.59 g/mol. Its IUPAC name is 4-[2-(2H-isoindol-1-yl)-3-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-6-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)pyridazin-4-yl]oxadiazole.

Molecular Properties

• Compound Name: 4-[2-(2H-isoindol-1-yl)-3-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-6-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)pyridazin-4-yl]oxadiazole
• PubChem CID: 141196724
• Molecular Formula: C25H14N10O3S2
• Molecular Weight: 566.59 g/mol
• Exact Mass: 566.07
• IUPAC Name: 4-[2-(2H-isoindol-1-yl)-3-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-6-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)pyridazin-4-yl]oxadiazole
• SMILES: c1ccc2c(N3C(c4ccon4)=C(c4conn4)C(c4ncco4)=C(c4csnn4)N3c3nccs3)[nH]cc2c1
• InChI: InChI=1S/C25H14N10O3S2/c1-2-4-15-14(3-1)11-28-23(15)34-21(16-5-8-37-31-16)19(17-12-38-32-29-17)20(24-26-6-9-36-24)22(18-13-40-33-30-18)35(34)25-27-7-10-39-25/h1-13,28H
• InChIKey: WLHPDTKNJNBKDR-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 151.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	566.59
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2H-isoindol-1-yl)-3-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-6-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)pyridazin-4-yl]oxadiazole?

The IUPAC name of 4-[2-(2H-isoindol-1-yl)-3-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-6-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)pyridazin-4-yl]oxadiazole (CID 141196724) is 4-[2-(2H-isoindol-1-yl)-3-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-6-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)pyridazin-4-yl]oxadiazole.

What is the SMILES notation for 4-[2-(2H-isoindol-1-yl)-3-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-6-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)pyridazin-4-yl]oxadiazole?

The canonical SMILES for 4-[2-(2H-isoindol-1-yl)-3-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-6-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)pyridazin-4-yl]oxadiazole is c1ccc2c(N3C(c4ccon4)=C(c4conn4)C(c4ncco4)=C(c4csnn4)N3c3nccs3)[nH]cc2c1.

What is the InChIKey of 4-[2-(2H-isoindol-1-yl)-3-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-6-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)pyridazin-4-yl]oxadiazole?

The InChIKey is WLHPDTKNJNBKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14N10O3S2/c1-2-4-15-14(3-1)11-28-23(15)34-21(16-5-8-37-31-16)19(17-12-38-32-29-17)20(24-26-6-9-36-24)22(18-13-40-33-30-18)35(34)25-27-7-10-39-25/h1-13,28H.

What are the key properties of 4-[2-(2H-isoindol-1-yl)-3-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-6-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)pyridazin-4-yl]oxadiazole?

4-[2-(2H-isoindol-1-yl)-3-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-6-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)pyridazin-4-yl]oxadiazole has a molecular weight of 566.59 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(2H-isoindol-1-yl)-3-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-6-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)pyridazin-4-yl]oxadiazole is sourced from PubChem (CID 141196724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).