2-(Benzylamino)-5-methoxy-1,3-oxazole-4-carbonitrile
TL;DR: 2-(Benzylamino)-5-methoxy-1,3-oxazole-4-carbonitrile (CAS 122761-32-4) is a chemical compound with molecular formula C12H11N3O2 and molecular weight 229.08513 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(benzylamino)-5-methoxy-1,3-oxazole-4-carbonitrile
Also Known As: 2-(Benzylamino)-5-methoxy-4-oxazolcarbonitril, 2-(benzylamino)-5-methoxy-1,3-oxazole-4-carbonitrile
Technical Specifications
| Molecular Formula | C12H11N3O2 |
| Molecular Weight | 229.08513 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 71.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.08513 Da |
| Heavy Atoms | 17 |
| Complexity | 283.0 |
| SMILES | COC1=C(N=C(O1)NCC2=CC=CC=C2)C#N |
| InChIKey | JAAPQMAGQLWWOJ-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Benzylamino)-5-methoxy-1,3-oxazole-4-carbonitrile
Property Insights of 2-(Benzylamino)-5-methoxy-1,3-oxazole-4-carbonitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Benzylamino)-5-methoxy-1,3-oxazole-4-carbonitrile. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzylamino)-5-methoxy-1,3-oxazole-4-carbonitrile. Following Lipinski's Rule of Five, 2-(Benzylamino)-5-methoxy-1,3-oxazole-4-carbonitrile 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
What is the CAS number of 2-(Benzylamino)-5-methoxy-1,3-oxazole-4-carbonitrile?
The CAS number of 2-(Benzylamino)-5-methoxy-1,3-oxazole-4-carbonitrile is 122761-32-4.
What is the molecular formula of 2-(Benzylamino)-5-methoxy-1,3-oxazole-4-carbonitrile?
The molecular formula of 2-(Benzylamino)-5-methoxy-1,3-oxazole-4-carbonitrile is C12H11N3O2.
What is the molecular weight of 2-(Benzylamino)-5-methoxy-1,3-oxazole-4-carbonitrile?
The molecular weight of 2-(Benzylamino)-5-methoxy-1,3-oxazole-4-carbonitrile is 229.08513 g/mol.
Where can I buy 2-(Benzylamino)-5-methoxy-1,3-oxazole-4-carbonitrile?
You can request a quote for 2-(Benzylamino)-5-methoxy-1,3-oxazole-4-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Benzylamino)-5-methoxy-1,3-oxazole-4-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(Benzylamino)-5-methoxy-1,3-oxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.