1-(3-Tert-butyl-1,2-oxazol-5-yl)-3-methylurea
TL;DR: 1-(3-Tert-butyl-1,2-oxazol-5-yl)-3-methylurea (CAS 59669-45-3) is a chemical compound with molecular formula C9H15N3O2 and molecular weight 197.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylurea
Also Known As: ChemDiv3_014975, 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylurea, N-(3-tert-butylisoxazol-5-yl)-N'-methylurea, 1-methyl-3-(3-t-butyl-5-isoxazolyl)urea, 1-methyl-3-(3-t-butyl-5-isoxazolyl)-urea
| Molecular Formula | C9H15N3O2 |
|---|---|
| Molecular Weight | 197.12 g/mol |
| LogP | 1.7234 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 197.11642 |
| Heavy Atoms | 14 |
| Complexity | 325.0432 |
Chemical Identifiers
| CAS Number | 59669-45-3 |
|---|---|
| SMILES | CC(C)(C)C1=NOC(=C1)NC(=O)NC |
Product Overview
1-(3-Tert-butyl-1,2-oxazol-5-yl)-3-methylurea (CAS 59669-45-3), with molecular formula C9H15N3O2 and molecular weight 197.12 g/mol. IUPAC: 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylurea.
Chemical Property Profile of 1-(3-Tert-butyl-1,2-oxazol-5-yl)-3-methylurea
Property Insights of 1-(3-Tert-butyl-1,2-oxazol-5-yl)-3-methylurea
The XLogP value of 1.7234 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Tert-butyl-1,2-oxazol-5-yl)-3-methylurea. The TPSA of 67.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Tert-butyl-1,2-oxazol-5-yl)-3-methylurea. Following Lipinski's Rule of Five, 1-(3-Tert-butyl-1,2-oxazol-5-yl)-3-methylurea has 2 hydrogen bond donor(s) and 3 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 1-(3-Tert-butyl-1,2-oxazol-5-yl)-3-methylurea?
The CAS number of 1-(3-Tert-butyl-1,2-oxazol-5-yl)-3-methylurea is 59669-45-3.
What is the molecular formula of 1-(3-Tert-butyl-1,2-oxazol-5-yl)-3-methylurea?
The molecular formula of 1-(3-Tert-butyl-1,2-oxazol-5-yl)-3-methylurea is C9H15N3O2.
What is the molecular weight of 1-(3-Tert-butyl-1,2-oxazol-5-yl)-3-methylurea?
The molecular weight of 1-(3-Tert-butyl-1,2-oxazol-5-yl)-3-methylurea is 197.12 g/mol.
Where can I buy 1-(3-Tert-butyl-1,2-oxazol-5-yl)-3-methylurea?
You can request a quote for 1-(3-Tert-butyl-1,2-oxazol-5-yl)-3-methylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Tert-butyl-1,2-oxazol-5-yl)-3-methylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Tert-butyl-1,2-oxazol-5-yl)-3-methylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.