oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;tris(1,3-thiazole);1H-1,2,4-triazole;2H-triazole

C34H36N24O6S6 — CID 163732590

About oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;tris(1,3-thiazole);1H-1,2,4-triazole;2H-triazole

oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;tris(1,3-thiazole);1H-1,2,4-triazole;2H-triazole (PubChem CID 163732590) has the molecular formula C34H36N24O6S6 and a molecular weight of 1069.23 g/mol. Its IUPAC name is oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;tris(1,3-thiazole);1H-1,2,4-triazole;2H-triazole.

Molecular Properties

• Compound Name: oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;tris(1,3-thiazole);1H-1,2,4-triazole;2H-triazole
• PubChem CID: 163732590
• Molecular Formula: C34H36N24O6S6
• Molecular Weight: 1069.23 g/mol
• Exact Mass: 1068.16
• IUPAC Name: oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;tris(1,3-thiazole);1H-1,2,4-triazole;2H-triazole
• SMILES: c1cn[nH]n1.c1cnoc1.c1cnon1.c1cnsc1.c1cnsn1.c1cocn1.c1conn1.c1cscn1.c1cscn1.c1cscn1.c1nc[nH]n1.c1ncon1.c1nnco1.c1nncs1
• InChI: InChI=1S/2C3H3NO.4C3H3NS.2C2H3N3.4C2H2N2O.2C2H2N2S/c1-2-5-3-4-1;1-2-4-5-3-1;3*1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1;1-2-4-5-3-1;1-3-4-2-5-1;1-2-4-5-3-1/h6*1-3H;2*1-2H,(H,3,4,5);6*1-2H
• InChIKey: LAWATMYYMAGBMR-UHFFFAOYSA-N
• XLogP: 6.89
• TPSA: 394.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 34
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1069.23
LogP ≤ 5	6.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;tris(1,3-thiazole);1H-1,2,4-triazole;2H-triazole?

The IUPAC name of oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;tris(1,3-thiazole);1H-1,2,4-triazole;2H-triazole (CID 163732590) is oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;tris(1,3-thiazole);1H-1,2,4-triazole;2H-triazole.

What is the SMILES notation for oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;tris(1,3-thiazole);1H-1,2,4-triazole;2H-triazole?

The canonical SMILES for oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;tris(1,3-thiazole);1H-1,2,4-triazole;2H-triazole is c1cn[nH]n1.c1cnoc1.c1cnon1.c1cnsc1.c1cnsn1.c1cocn1.c1conn1.c1cscn1.c1cscn1.c1cscn1.c1nc[nH]n1.c1ncon1.c1nnco1.c1nncs1.

What is the InChIKey of oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;tris(1,3-thiazole);1H-1,2,4-triazole;2H-triazole?

The InChIKey is LAWATMYYMAGBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H3NO.4C3H3NS.2C2H3N3.4C2H2N2O.2C2H2N2S/c1-2-5-3-4-1;1-2-4-5-3-1;3*1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1;1-2-4-5-3-1;1-3-4-2-5-1;1-2-4-5-3-1/h6*1-3H;2*1-2H,(H,3,4,5);6*1-2H.

What are the key properties of oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;tris(1,3-thiazole);1H-1,2,4-triazole;2H-triazole?

oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;tris(1,3-thiazole);1H-1,2,4-triazole;2H-triazole has a molecular weight of 1069.23 g/mol, XLogP of 6.89, 0 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;tris(1,3-thiazole);1H-1,2,4-triazole;2H-triazole is sourced from PubChem (CID 163732590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).