![3-[4-(Diethylamino)phenyl]-1,2-oxazole-5-carbonitrile structure](/static/products/497/497941-40-9.png)
3-[4-(Diethylamino)phenyl]-1,2-oxazole-5-carbonitrile
TL;DR: 3-[4-(Diethylamino)phenyl]-1,2-oxazole-5-carbonitrile (CAS 497941-40-9) is a chemical compound with molecular formula C14H15N3O and molecular weight 241.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(diethylamino)phenyl]-1,2-oxazole-5-carbonitrile
Also Known As: ChemDiv2_000415, 3-[4-(diethylamino)phenyl]-1,2-oxazole-5-carbonitrile, 3-(4-(diethylamino)phenyl)isoxazole-5-carbonitrile
| Molecular Formula | C14H15N3O |
|---|---|
| Molecular Weight | 241.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.1215 |
| Heavy Atoms | 18 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 497941-40-9 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C2=NOC(=C2)C#N |
| InChIKey | IYRTWRIUPFWPDS-UHFFFAOYSA-N |
Product Overview
3-[4-(Diethylamino)phenyl]-1,2-oxazole-5-carbonitrile (CAS 497941-40-9), with molecular formula C14H15N3O and molecular weight 241.12 g/mol. IUPAC: 3-[4-(diethylamino)phenyl]-1,2-oxazole-5-carbonitrile.
Chemical Property Profile of 3-[4-(Diethylamino)phenyl]-1,2-oxazole-5-carbonitrile
Property Insights of 3-[4-(Diethylamino)phenyl]-1,2-oxazole-5-carbonitrile
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-(Diethylamino)phenyl]-1,2-oxazole-5-carbonitrile. With a topological polar surface area (TPSA) of 53.1 Ų, 3-[4-(Diethylamino)phenyl]-1,2-oxazole-5-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[4-(Diethylamino)phenyl]-1,2-oxazole-5-carbonitrile has 0 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 3-[4-(Diethylamino)phenyl]-1,2-oxazole-5-carbonitrile?
The CAS number of 3-[4-(Diethylamino)phenyl]-1,2-oxazole-5-carbonitrile is 497941-40-9.
What is the molecular formula of 3-[4-(Diethylamino)phenyl]-1,2-oxazole-5-carbonitrile?
The molecular formula of 3-[4-(Diethylamino)phenyl]-1,2-oxazole-5-carbonitrile is C14H15N3O.
What is the molecular weight of 3-[4-(Diethylamino)phenyl]-1,2-oxazole-5-carbonitrile?
The molecular weight of 3-[4-(Diethylamino)phenyl]-1,2-oxazole-5-carbonitrile is 241.12 g/mol.
Where can I buy 3-[4-(Diethylamino)phenyl]-1,2-oxazole-5-carbonitrile?
You can request a quote for 3-[4-(Diethylamino)phenyl]-1,2-oxazole-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(Diethylamino)phenyl]-1,2-oxazole-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(Diethylamino)phenyl]-1,2-oxazole-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.