![2-{3-[2-(Phenylamino)ethyl]-1,2,4-oxadiazol-5-yl}acetonitrile structure](/static/products/857/857041-73-7.png)
2-{3-[2-(Phenylamino)ethyl]-1,2,4-oxadiazol-5-yl}acetonitrile
TL;DR: 2-{3-[2-(Phenylamino)ethyl]-1,2,4-oxadiazol-5-yl}acetonitrile (CAS 857041-73-7) is a chemical compound with molecular formula C12H12N4O and molecular weight 228.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(2-anilinoethyl)-1,2,4-oxadiazol-5-yl]acetonitrile
Also Known As: 2-{3-[2-(phenylamino)ethyl]-1,2,4-oxadiazol-5-yl}acetonitrile, 2-[3-(2-anilinoethyl)-1,2,4-oxadiazol-5-yl]acetonitrile, [3-(2-anilinoethyl)-1,2,4-oxadiazol-5-yl]acetonitrile, 2-(3-(2-(Phenylamino)ethyl)-1,2,4-oxadiazol-5-yl)acetonitrile
| Molecular Formula | C12H12N4O |
|---|---|
| Molecular Weight | 228.10 g/mol |
| LogP | 1.79028 |
| Topological Polar Surface Area | 74.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.1011 |
| Heavy Atoms | 17 |
| Complexity | 500.7242 |
Chemical Identifiers
| CAS Number | 857041-73-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)NCCC2=NOC(=N2)CC#N |
Product Overview
2-{3-[2-(Phenylamino)ethyl]-1,2,4-oxadiazol-5-yl}acetonitrile (CAS 857041-73-7), with molecular formula C12H12N4O and molecular weight 228.10 g/mol. IUPAC: 2-[3-(2-anilinoethyl)-1,2,4-oxadiazol-5-yl]acetonitrile.
Chemical Property Profile of 2-{3-[2-(Phenylamino)ethyl]-1,2,4-oxadiazol-5-yl}acetonitrile
Property Insights of 2-{3-[2-(Phenylamino)ethyl]-1,2,4-oxadiazol-5-yl}acetonitrile
The XLogP value of 1.79028 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{3-[2-(Phenylamino)ethyl]-1,2,4-oxadiazol-5-yl}acetonitrile. The TPSA of 74.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{3-[2-(Phenylamino)ethyl]-1,2,4-oxadiazol-5-yl}acetonitrile. Following Lipinski's Rule of Five, 2-{3-[2-(Phenylamino)ethyl]-1,2,4-oxadiazol-5-yl}acetonitrile has 1 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 2-{3-[2-(Phenylamino)ethyl]-1,2,4-oxadiazol-5-yl}acetonitrile?
The CAS number of 2-{3-[2-(Phenylamino)ethyl]-1,2,4-oxadiazol-5-yl}acetonitrile is 857041-73-7.
What is the molecular formula of 2-{3-[2-(Phenylamino)ethyl]-1,2,4-oxadiazol-5-yl}acetonitrile?
The molecular formula of 2-{3-[2-(Phenylamino)ethyl]-1,2,4-oxadiazol-5-yl}acetonitrile is C12H12N4O.
What is the molecular weight of 2-{3-[2-(Phenylamino)ethyl]-1,2,4-oxadiazol-5-yl}acetonitrile?
The molecular weight of 2-{3-[2-(Phenylamino)ethyl]-1,2,4-oxadiazol-5-yl}acetonitrile is 228.10 g/mol.
Where can I buy 2-{3-[2-(Phenylamino)ethyl]-1,2,4-oxadiazol-5-yl}acetonitrile?
You can request a quote for 2-{3-[2-(Phenylamino)ethyl]-1,2,4-oxadiazol-5-yl}acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{3-[2-(Phenylamino)ethyl]-1,2,4-oxadiazol-5-yl}acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{3-[2-(Phenylamino)ethyl]-1,2,4-oxadiazol-5-yl}acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.