![2-methyl-5-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)oxazole-4-carbonitrile structure](/static/products/121/1212426-60-2.png)
2-methyl-5-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)oxazole-4-carbonitrile
TL;DR: 2-methyl-5-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)oxazole-4-carbonitrile (CAS 1212426-60-2) is a chemical compound with molecular formula C16H16N4O2 and molecular weight 296.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-1,3-oxazole-4-carbonitrile
Also Known As: 2-methyl-5-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)oxazole-4-carbonitrile, 2-methyl-5-[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]-1,3-oxazole-4-carbonitrile
| Molecular Formula | C16H16N4O2 |
|---|---|
| Molecular Weight | 296.13 g/mol |
| LogP | 1.6401 |
| Topological Polar Surface Area | 75.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 296.12732 |
| Heavy Atoms | 22 |
| Complexity | 829.40186 |
Chemical Identifiers
| CAS Number | 1212426-60-2 |
|---|---|
| SMILES | CC1=NC(=C(O1)N2C[C@@H]3C[C@H](C2)C4=CC=CC(=O)N4C3)C#N |
Product Overview
2-methyl-5-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)oxazole-4-carbonitrile (CAS 1212426-60-2), with molecular formula C16H16N4O2 and molecular weight 296.13 g/mol. IUPAC: 2-methyl-5-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of 2-methyl-5-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)oxazole-4-carbonitrile
Property Insights of 2-methyl-5-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)oxazole-4-carbonitrile
The XLogP value of 1.6401 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-5-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)oxazole-4-carbonitrile. The TPSA of 75.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-5-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)oxazole-4-carbonitrile. Following Lipinski's Rule of Five, 2-methyl-5-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)oxazole-4-carbonitrile has 0 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-methyl-5-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)oxazole-4-carbonitrile?
The CAS number of 2-methyl-5-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)oxazole-4-carbonitrile is 1212426-60-2.
What is the molecular formula of 2-methyl-5-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)oxazole-4-carbonitrile?
The molecular formula of 2-methyl-5-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)oxazole-4-carbonitrile is C16H16N4O2.
What is the molecular weight of 2-methyl-5-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)oxazole-4-carbonitrile?
The molecular weight of 2-methyl-5-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)oxazole-4-carbonitrile is 296.13 g/mol.
Where can I buy 2-methyl-5-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)oxazole-4-carbonitrile?
You can request a quote for 2-methyl-5-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)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 2-methyl-5-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)oxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-5-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)oxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.