3-Methyl-5-phenyl-1,2,4-oxadiazole
TL;DR: 3-Methyl-5-phenyl-1,2,4-oxadiazole (CAS 1199-00-4) is a chemical compound with molecular formula C9H8N2O and molecular weight 160.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-phenyl-1,2,4-oxadiazole
Also Known As: 3-Methyl-5-phenyl-1,2,4-oxadiazole, 1,2,4-Oxadiazole, 3-methyl-5-phenyl-, 3-Methyl-5-phenyl-[1,2,4]oxadiazole, 3-methyl-5-phenyl-1,2,4-oxdiazol, BAS 00512420
| Molecular Formula | C9H8N2O |
|---|---|
| Molecular Weight | 160.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 38.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 160.06366 |
| Heavy Atoms | 12 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 1199-00-4 |
|---|---|
| SMILES | CC1=NOC(=N1)C2=CC=CC=C2 |
| InChIKey | ZTWRWSTUMWZTAU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-5-phenyl-1,2,4-oxadiazole (CAS 1199-00-4), with molecular formula C9H8N2O and molecular weight 160.06 g/mol. IUPAC: 3-methyl-5-phenyl-1,2,4-oxadiazole.
Chemical Property Profile of 3-Methyl-5-phenyl-1,2,4-oxadiazole
Property Insights of 3-Methyl-5-phenyl-1,2,4-oxadiazole
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-5-phenyl-1,2,4-oxadiazole. With a topological polar surface area (TPSA) of 38.9 Ų, 3-Methyl-5-phenyl-1,2,4-oxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-5-phenyl-1,2,4-oxadiazole has 0 hydrogen bond donor(s) and 3 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 3-Methyl-5-phenyl-1,2,4-oxadiazole?
The CAS number of 3-Methyl-5-phenyl-1,2,4-oxadiazole is 1199-00-4.
What is the molecular formula of 3-Methyl-5-phenyl-1,2,4-oxadiazole?
The molecular formula of 3-Methyl-5-phenyl-1,2,4-oxadiazole is C9H8N2O.
What is the molecular weight of 3-Methyl-5-phenyl-1,2,4-oxadiazole?
The molecular weight of 3-Methyl-5-phenyl-1,2,4-oxadiazole is 160.06 g/mol.
Where can I buy 3-Methyl-5-phenyl-1,2,4-oxadiazole?
You can request a quote for 3-Methyl-5-phenyl-1,2,4-oxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-5-phenyl-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-5-phenyl-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.