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
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACoxadiazole;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
SMILESc1cnoc1.c1cnoc1.c1cnon1.c1cnsn1.c1cocn1.c1conn1.c1cscn1.c1csnn1.c1ncon1.c1ncsn1.c1nnco1.c1nncs1
InChIInChI=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
InChIKeyLDACVQKTOJZRRH-UHFFFAOYSA-N
MW917.00 g/mol
LogP5.60
Rot. Bonds
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 Donors | |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | |
| 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).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 159314954 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.