3-Methyl-5-(piperazin-1-ylmethyl)-1,2-oxazole
TL;DR: 3-Methyl-5-(piperazin-1-ylmethyl)-1,2-oxazole (CAS 1431963-31-3) is a chemical compound with molecular formula C9H15N3O and molecular weight 181.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-(piperazin-1-ylmethyl)-1,2-oxazole
Also Known As: Isoxazol-4-ylmethanamine, 1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine, 3-methyl-5-(piperazin-1-ylmethyl)-1,2-oxazole, 3-Methyl-5-(piperazin-1-ylmethyl)isoxazole, Piperazine, 1-[(3-methyl-5-isoxazolyl)methyl]- (9CI)
| Molecular Formula | C9H15N3O |
|---|---|
| Molecular Weight | 181.12 g/mol |
| LogP | 0.38822 |
| Topological Polar Surface Area | 41.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.1215 |
| Heavy Atoms | 13 |
| Complexity | 265.57846 |
Chemical Identifiers
| CAS Number | 1431963-31-3 |
|---|---|
| SMILES | CC1=NOC(=C1)CN2CCNCC2 |
Product Overview
3-Methyl-5-(piperazin-1-ylmethyl)-1,2-oxazole (CAS 1431963-31-3), with molecular formula C9H15N3O and molecular weight 181.12 g/mol. IUPAC: 3-methyl-5-(piperazin-1-ylmethyl)-1,2-oxazole.
Chemical Property Profile of 3-Methyl-5-(piperazin-1-ylmethyl)-1,2-oxazole
Property Insights of 3-Methyl-5-(piperazin-1-ylmethyl)-1,2-oxazole
The XLogP value of 0.38822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-5-(piperazin-1-ylmethyl)-1,2-oxazole. With a topological polar surface area (TPSA) of 41.3 Ų, 3-Methyl-5-(piperazin-1-ylmethyl)-1,2-oxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-5-(piperazin-1-ylmethyl)-1,2-oxazole 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 3-Methyl-5-(piperazin-1-ylmethyl)-1,2-oxazole?
The CAS number of 3-Methyl-5-(piperazin-1-ylmethyl)-1,2-oxazole is 1431963-31-3.
What is the molecular formula of 3-Methyl-5-(piperazin-1-ylmethyl)-1,2-oxazole?
The molecular formula of 3-Methyl-5-(piperazin-1-ylmethyl)-1,2-oxazole is C9H15N3O.
What is the molecular weight of 3-Methyl-5-(piperazin-1-ylmethyl)-1,2-oxazole?
The molecular weight of 3-Methyl-5-(piperazin-1-ylmethyl)-1,2-oxazole is 181.12 g/mol.
Where can I buy 3-Methyl-5-(piperazin-1-ylmethyl)-1,2-oxazole?
You can request a quote for 3-Methyl-5-(piperazin-1-ylmethyl)-1,2-oxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-5-(piperazin-1-ylmethyl)-1,2-oxazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-5-(piperazin-1-ylmethyl)-1,2-oxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.