5-(Benzylamino)-2-methyl-1,3-oxazole-4-carbonitrile
TL;DR: 5-(Benzylamino)-2-methyl-1,3-oxazole-4-carbonitrile (CAS 36663-18-0) is a chemical compound with molecular formula C12H11N3O and molecular weight 213.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzylamino)-2-methyl-1,3-oxazole-4-carbonitrile
Also Known As: 5-(benzylamino)-2-methyl-1,3-oxazole-4-carbonitrile, 5-benzylamino-2-methyl-oxazole-4-carbonitrile, 2-methyl-5-[benzylamino]-1,3-oxazole-4-carbonitrile
| Molecular Formula | C12H11N3O |
|---|---|
| Molecular Weight | 213.09 g/mol |
| LogP | 2.4668 |
| Topological Polar Surface Area | 61.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.09021 |
| Heavy Atoms | 16 |
| Complexity | 510.8053 |
Chemical Identifiers
| CAS Number | 36663-18-0 |
|---|---|
| SMILES | CC1=NC(=C(O1)NCC2=CC=CC=C2)C#N |
Product Overview
5-(Benzylamino)-2-methyl-1,3-oxazole-4-carbonitrile (CAS 36663-18-0), with molecular formula C12H11N3O and molecular weight 213.09 g/mol. IUPAC: 5-(benzylamino)-2-methyl-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of 5-(Benzylamino)-2-methyl-1,3-oxazole-4-carbonitrile
Property Insights of 5-(Benzylamino)-2-methyl-1,3-oxazole-4-carbonitrile
The XLogP value of 2.4668 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Benzylamino)-2-methyl-1,3-oxazole-4-carbonitrile. The TPSA of 61.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Benzylamino)-2-methyl-1,3-oxazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-(Benzylamino)-2-methyl-1,3-oxazole-4-carbonitrile has 1 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 5-(Benzylamino)-2-methyl-1,3-oxazole-4-carbonitrile?
The CAS number of 5-(Benzylamino)-2-methyl-1,3-oxazole-4-carbonitrile is 36663-18-0.
What is the molecular formula of 5-(Benzylamino)-2-methyl-1,3-oxazole-4-carbonitrile?
The molecular formula of 5-(Benzylamino)-2-methyl-1,3-oxazole-4-carbonitrile is C12H11N3O.
What is the molecular weight of 5-(Benzylamino)-2-methyl-1,3-oxazole-4-carbonitrile?
The molecular weight of 5-(Benzylamino)-2-methyl-1,3-oxazole-4-carbonitrile is 213.09 g/mol.
Where can I buy 5-(Benzylamino)-2-methyl-1,3-oxazole-4-carbonitrile?
You can request a quote for 5-(Benzylamino)-2-methyl-1,3-oxazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Benzylamino)-2-methyl-1,3-oxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(Benzylamino)-2-methyl-1,3-oxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.