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

C19H11N13O3S2 — CID 140998525

About 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

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 (PubChem CID 140998525) has the molecular formula C19H11N13O3S2 and a molecular weight of 533.52 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 140998525
• Molecular Formula: C19H11N13O3S2
• Molecular Weight: 533.52 g/mol
• Exact Mass: 533.05
• IUPAC Name: 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
• SMILES: c1cc(C2(c3nccs3)NC(c3csnn3)=C(c3conn3)N(c3ccon3)N2c2ncco2)nnn1
• InChI: InChI=1S/C19H11N13O3S2/c1-3-22-28-26-13(1)19(17-20-5-8-36-17)23-15(12-10-37-30-25-12)16(11-9-35-29-24-11)31(14-2-6-34-27-14)32(19)18-21-4-7-33-18/h1-10,23H
• InChIKey: IOXVGAMYXDNFKE-UHFFFAOYSA-N
• XLogP: 1.80
• TPSA: 186.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.52
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is c1cc(C2(c3nccs3)NC(c3csnn3)=C(c3conn3)N(c3ccon3)N2c2ncco2)nnn1.

What is the InChIKey of 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?

The InChIKey is IOXVGAMYXDNFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N13O3S2/c1-3-22-28-26-13(1)19(17-20-5-8-36-17)23-15(12-10-37-30-25-12)16(11-9-35-29-24-11)31(14-2-6-34-27-14)32(19)18-21-4-7-33-18/h1-10,23H.

What are the key properties of 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?

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 has a molecular weight of 533.52 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 140998525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).