3-Tert-butyl-1-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
TL;DR: 3-Tert-butyl-1-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea (CAS 915925-98-3) is a chemical compound with molecular formula C16H22N4O2 and molecular weight 302.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-1-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
Also Known As: 3-tert-butyl-1-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea, 3-tert-butyl-1-methyl-1-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}urea
| Molecular Formula | C16H22N4O2 |
|---|---|
| Molecular Weight | 302.17 g/mol |
| LogP | 2.98492 |
| Topological Polar Surface Area | 71.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.1743 |
| Heavy Atoms | 22 |
| Complexity | 640.9106 |
Chemical Identifiers
| CAS Number | 915925-98-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NOC(=N2)CN(C)C(=O)NC(C)(C)C |
Product Overview
3-Tert-butyl-1-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea (CAS 915925-98-3), with molecular formula C16H22N4O2 and molecular weight 302.17 g/mol. IUPAC: 3-tert-butyl-1-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea.
Chemical Property Profile of 3-Tert-butyl-1-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
Property Insights of 3-Tert-butyl-1-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
The XLogP value of 2.98492 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Tert-butyl-1-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea. The TPSA of 71.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Tert-butyl-1-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea. Following Lipinski's Rule of Five, 3-Tert-butyl-1-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea 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-Tert-butyl-1-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea?
The CAS number of 3-Tert-butyl-1-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea is 915925-98-3.
What is the molecular formula of 3-Tert-butyl-1-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea?
The molecular formula of 3-Tert-butyl-1-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea is C16H22N4O2.
What is the molecular weight of 3-Tert-butyl-1-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea?
The molecular weight of 3-Tert-butyl-1-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea is 302.17 g/mol.
Where can I buy 3-Tert-butyl-1-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea?
You can request a quote for 3-Tert-butyl-1-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Tert-butyl-1-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea?
Yes, KEHONG BIO provides custom synthesis services for 3-Tert-butyl-1-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.