5-(4-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one
TL;DR: 5-(4-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one (CAS 121747-90-8) is a chemical compound with molecular formula C8H5FN2O2 and molecular weight 180.03351 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-fluorophenyl)-3H-1,3,4-oxadiazol-2-one
Also Known As: Isochandalone, 5-(4-FLUOROPHENYL)-1,3,4-OXADIAZOL-2(3H)-ONE, 5-(4-fluorophenyl)-3H-1,3,4-oxadiazol-2-one, US11634391, Compound 84, 5-(4-fluorophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-one
Technical Specifications
| Molecular Formula | C8H5FN2O2 |
| Molecular Weight | 180.03351 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.03351 Da |
| Heavy Atoms | 13 |
| Complexity | 247.0 |
| SMILES | C1=CC(=CC=C1C2=NNC(=O)O2)F |
| InChIKey | GJHOBBCSKKRRBE-UHFFFAOYSA-N |
Chemical Property Profile of 5-(4-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one
Property Insights of 5-(4-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one. With a topological polar surface area (TPSA) of 50.7 Ų, 5-(4-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(4-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one?
The CAS number of 5-(4-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one is 121747-90-8.
What is the molecular formula of 5-(4-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one?
The molecular formula of 5-(4-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one is C8H5FN2O2.
What is the molecular weight of 5-(4-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one?
The molecular weight of 5-(4-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one is 180.03351 g/mol.
Where can I buy 5-(4-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one?
You can request a quote for 5-(4-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(4-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one?
Yes, CoreyChem provides custom synthesis services for 5-(4-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.