N-benzyl-3-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)isonicotinamide
TL;DR: N-benzyl-3-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)isonicotinamide (CAS 887583-85-9) is a chemical compound with molecular formula C18H19N3O2 and molecular weight 309.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridine-4-carboxamide
Also Known As: N-benzyl-3-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)isonicotinamide, AO-801/41077528, N-benzyl-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridine-4-carboxamide, N-Benzyl-3-(4,4-dimethyl-4,5-dihydrooxazol-2-yl)isonicotinamide
| Molecular Formula | C18H19N3O2 |
|---|---|
| Molecular Weight | 309.15 g/mol |
| LogP | 2.567 |
| Topological Polar Surface Area | 63.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.14774 |
| Heavy Atoms | 23 |
| Complexity | 738.9417 |
Chemical Identifiers
| CAS Number | 887583-85-9 |
|---|---|
| SMILES | CC1(COC(=N1)C2=C(C=CN=C2)C(=O)NCC3=CC=CC=C3)C |
Product Overview
N-benzyl-3-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)isonicotinamide (CAS 887583-85-9), with molecular formula C18H19N3O2 and molecular weight 309.15 g/mol. IUPAC: N-benzyl-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridine-4-carboxamide.
Chemical Property Profile of N-benzyl-3-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)isonicotinamide
Property Insights of N-benzyl-3-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)isonicotinamide
The XLogP value of 2.567 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-3-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)isonicotinamide. The TPSA of 63.58 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-3-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)isonicotinamide. Following Lipinski's Rule of Five, N-benzyl-3-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)isonicotinamide 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 N-benzyl-3-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)isonicotinamide?
The CAS number of N-benzyl-3-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)isonicotinamide is 887583-85-9.
What is the molecular formula of N-benzyl-3-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)isonicotinamide?
The molecular formula of N-benzyl-3-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)isonicotinamide is C18H19N3O2.
What is the molecular weight of N-benzyl-3-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)isonicotinamide?
The molecular weight of N-benzyl-3-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)isonicotinamide is 309.15 g/mol.
Where can I buy N-benzyl-3-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)isonicotinamide?
You can request a quote for N-benzyl-3-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)isonicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-3-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)isonicotinamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-3-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)isonicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.