oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(1,2-oxazole);1,3-oxazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,3-thiazole

C28H28N20O7S5 — CID 159314954

About oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(1,2-oxazole);1,3-oxazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,3-thiazole

oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(1,2-oxazole);1,3-oxazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,3-thiazole (PubChem CID 159314954) has the molecular formula C28H28N20O7S5 and a molecular weight of 917.00 g/mol. Its IUPAC name is oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(1,2-oxazole);1,3-oxazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,3-thiazole.

Molecular Properties

• Compound Name: oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(1,2-oxazole);1,3-oxazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,3-thiazole
• PubChem CID: 159314954
• Molecular Formula: C28H28N20O7S5
• Molecular Weight: 917.00 g/mol
• Exact Mass: 916.11
• IUPAC Name: oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(1,2-oxazole);1,3-oxazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,3-thiazole
• SMILES: c1cnoc1.c1cnoc1.c1cnon1.c1cnsn1.c1cocn1.c1conn1.c1cscn1.c1csnn1.c1ncon1.c1ncsn1.c1nnco1.c1nncs1
• InChI: InChI=1S/3C3H3NO.C3H3NS.4C2H2N2O.4C2H2N2S/c1-2-5-3-4-1;2*1-2-4-5-3-1;1-2-5-3-4-1;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;1-3-2-5-4-1;1-2-5-4-3-1;1-2-4-5-3-1/h4*1-3H;8*1-2H
• InChIKey: LDACVQKTOJZRRH-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 349.78 Ų
• H-Bond Acceptors: 32
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	917.00
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

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

The IUPAC name of oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(1,2-oxazole);1,3-oxazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,3-thiazole (CID 159314954) is oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(1,2-oxazole);1,3-oxazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,3-thiazole.

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

The canonical SMILES for oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(1,2-oxazole);1,3-oxazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,3-thiazole is c1cnoc1.c1cnoc1.c1cnon1.c1cnsn1.c1cocn1.c1conn1.c1cscn1.c1csnn1.c1ncon1.c1ncsn1.c1nnco1.c1nncs1.

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

The InChIKey is LDACVQKTOJZRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H3NO.C3H3NS.4C2H2N2O.4C2H2N2S/c1-2-5-3-4-1;2*1-2-4-5-3-1;1-2-5-3-4-1;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;1-3-2-5-4-1;1-2-5-4-3-1;1-2-4-5-3-1/h4*1-3H;8*1-2H.

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

oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(1,2-oxazole);1,3-oxazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,3-thiazole has a molecular weight of 917.00 g/mol, XLogP of 5.60, 0 rotatable bonds, 0 hydrogen bond donors, and 32 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;bis(1,2-oxazole);1,3-oxazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,3-thiazole is sourced from PubChem (CID 159314954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).