TL;DR: 1H-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one (CAS 41443-28-1) is a chemical compound with molecular formula C9H5N3O2 and molecular weight 187.03818 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one
Also Known As: 1h-[1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one, ODQ, 1H-ODQ, Lopac-O-3636, [1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H5N3O2 |
| Molecular Weight | 187.03818 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 54.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 187.03818 Da |
| Heavy Atoms | 14 |
| Complexity | 337.0 |
| SMILES | C1=CC=C2C(=C1)N=CC3=NOC(=O)N23 |
| InChIKey | LZMHWZHOZLVYDL-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one. With a topological polar surface area (TPSA) of 54.3 Ų, 1H-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1H-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one is 41443-28-1.
The molecular formula of 1H-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one is C9H5N3O2.
The molecular weight of 1H-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one is 187.03818 g/mol.
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