5-(4-(benzyloxy)phenyl)-3-(2-cyanoethyl)-1,3,4-oxadiazol-2(3H)-one
TL;DR: 5-(4-(benzyloxy)phenyl)-3-(2-cyanoethyl)-1,3,4-oxadiazol-2(3H)-one (CAS 147807-20-3) is a chemical compound with molecular formula C18H15N3O3 and molecular weight 321.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-oxo-5-(4-phenylmethoxyphenyl)-1,3,4-oxadiazol-3-yl]propanenitrile
Also Known As: 5-Bzph-oxdo, 5-(4-(Benzyloxy)phenyl)-3-(2-cyanoethyl)-1,3,4-oxadiazol-2(3H)-one, 5-(4-3-1,3,4-oxadiazol-2 -one, 5-(4- -3- -1,3,4-oxadiazol-2 -one, 3-[2-oxo-5-(4-phenylmethoxyphenyl)-1,3,4-oxadiazol-3-yl]propanenitrile
| Molecular Formula | C18H15N3O3 |
|---|---|
| Molecular Weight | 321.11 g/mol |
| LogP | 2.99598 |
| Topological Polar Surface Area | 81.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.11133 |
| Heavy Atoms | 24 |
| Complexity | 889.7536 |
Chemical Identifiers
| CAS Number | 147807-20-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN(C(=O)O3)CCC#N |
Product Overview
5-(4-(benzyloxy)phenyl)-3-(2-cyanoethyl)-1,3,4-oxadiazol-2(3H)-one (CAS 147807-20-3), with molecular formula C18H15N3O3 and molecular weight 321.11 g/mol. IUPAC: 3-[2-oxo-5-(4-phenylmethoxyphenyl)-1,3,4-oxadiazol-3-yl]propanenitrile.
Chemical Property Profile of 5-(4-(benzyloxy)phenyl)-3-(2-cyanoethyl)-1,3,4-oxadiazol-2(3H)-one
Property Insights of 5-(4-(benzyloxy)phenyl)-3-(2-cyanoethyl)-1,3,4-oxadiazol-2(3H)-one
The XLogP value of 2.99598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-(benzyloxy)phenyl)-3-(2-cyanoethyl)-1,3,4-oxadiazol-2(3H)-one. The TPSA of 81.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-(benzyloxy)phenyl)-3-(2-cyanoethyl)-1,3,4-oxadiazol-2(3H)-one. Following Lipinski's Rule of Five, 5-(4-(benzyloxy)phenyl)-3-(2-cyanoethyl)-1,3,4-oxadiazol-2(3H)-one has 0 hydrogen bond donor(s) and 5 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-(benzyloxy)phenyl)-3-(2-cyanoethyl)-1,3,4-oxadiazol-2(3H)-one?
The CAS number of 5-(4-(benzyloxy)phenyl)-3-(2-cyanoethyl)-1,3,4-oxadiazol-2(3H)-one is 147807-20-3.
What is the molecular formula of 5-(4-(benzyloxy)phenyl)-3-(2-cyanoethyl)-1,3,4-oxadiazol-2(3H)-one?
The molecular formula of 5-(4-(benzyloxy)phenyl)-3-(2-cyanoethyl)-1,3,4-oxadiazol-2(3H)-one is C18H15N3O3.
What is the molecular weight of 5-(4-(benzyloxy)phenyl)-3-(2-cyanoethyl)-1,3,4-oxadiazol-2(3H)-one?
The molecular weight of 5-(4-(benzyloxy)phenyl)-3-(2-cyanoethyl)-1,3,4-oxadiazol-2(3H)-one is 321.11 g/mol.
Where can I buy 5-(4-(benzyloxy)phenyl)-3-(2-cyanoethyl)-1,3,4-oxadiazol-2(3H)-one?
You can request a quote for 5-(4-(benzyloxy)phenyl)-3-(2-cyanoethyl)-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-(benzyloxy)phenyl)-3-(2-cyanoethyl)-1,3,4-oxadiazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-(benzyloxy)phenyl)-3-(2-cyanoethyl)-1,3,4-oxadiazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.