5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2(3H)-one
TL;DR: 5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2(3H)-one (CAS 41125-75-1) is a chemical compound with molecular formula C9H8N2O3 and molecular weight 192.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one
Also Known As: 5-(4-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one, 5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2(3H)-one, 5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-ol, US11634391, Compound 92, 2-p-Methoxyphenyl-oxadiazol-1,3,4-one-5
| Molecular Formula | C9H8N2O3 |
|---|---|
| Molecular Weight | 192.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 59.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.0535 |
| Heavy Atoms | 14 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 41125-75-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NNC(=O)O2 |
| InChIKey | YRYGGQXFJDSZLH-UHFFFAOYSA-N |
Product Overview
5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2(3H)-one (CAS 41125-75-1), with molecular formula C9H8N2O3 and molecular weight 192.05 g/mol. IUPAC: 5-(4-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one.
Chemical Property Profile of 5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2(3H)-one
Property Insights of 5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2(3H)-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2(3H)-one. With a topological polar surface area (TPSA) of 59.9 Ų, 5-(4-Methoxyphenyl)-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-Methoxyphenyl)-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
Frequently Asked Questions
What is the CAS number of 5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2(3H)-one?
The CAS number of 5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2(3H)-one is 41125-75-1.
What is the molecular formula of 5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2(3H)-one?
The molecular formula of 5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2(3H)-one is C9H8N2O3.
What is the molecular weight of 5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2(3H)-one?
The molecular weight of 5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2(3H)-one is 192.05 g/mol.
Where can I buy 5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2(3H)-one?
You can request a quote for 5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.