N-isopropyl-5-(4-methylphenyl)-3-isoxazolecarboxamide
TL;DR: N-isopropyl-5-(4-methylphenyl)-3-isoxazolecarboxamide (CAS 725698-09-9) is a chemical compound with molecular formula C14H16N2O2 and molecular weight 244.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methylphenyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
Also Known As: BAS 09529860, N-isopropyl-5-(4-methylphenyl)-3-isoxazolecarboxamide, 5-(4-methylphenyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide, AN-329/43211210, 5-p-Tolyl-isoxazole-3-carboxylic acid isopropylamide
| Molecular Formula | C14H16N2O2 |
|---|---|
| Molecular Weight | 244.12 g/mol |
| LogP | 2.78822 |
| Topological Polar Surface Area | 55.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.12119 |
| Heavy Atoms | 18 |
| Complexity | 541.1766 |
Chemical Identifiers
| CAS Number | 725698-09-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC(C)C |
Product Overview
N-isopropyl-5-(4-methylphenyl)-3-isoxazolecarboxamide (CAS 725698-09-9), with molecular formula C14H16N2O2 and molecular weight 244.12 g/mol. IUPAC: 5-(4-methylphenyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide.
Chemical Property Profile of N-isopropyl-5-(4-methylphenyl)-3-isoxazolecarboxamide
Property Insights of N-isopropyl-5-(4-methylphenyl)-3-isoxazolecarboxamide
The XLogP value of 2.78822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-isopropyl-5-(4-methylphenyl)-3-isoxazolecarboxamide. With a topological polar surface area (TPSA) of 55.13 Ų, N-isopropyl-5-(4-methylphenyl)-3-isoxazolecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-isopropyl-5-(4-methylphenyl)-3-isoxazolecarboxamide has 1 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 N-isopropyl-5-(4-methylphenyl)-3-isoxazolecarboxamide?
The CAS number of N-isopropyl-5-(4-methylphenyl)-3-isoxazolecarboxamide is 725698-09-9.
What is the molecular formula of N-isopropyl-5-(4-methylphenyl)-3-isoxazolecarboxamide?
The molecular formula of N-isopropyl-5-(4-methylphenyl)-3-isoxazolecarboxamide is C14H16N2O2.
What is the molecular weight of N-isopropyl-5-(4-methylphenyl)-3-isoxazolecarboxamide?
The molecular weight of N-isopropyl-5-(4-methylphenyl)-3-isoxazolecarboxamide is 244.12 g/mol.
Where can I buy N-isopropyl-5-(4-methylphenyl)-3-isoxazolecarboxamide?
You can request a quote for N-isopropyl-5-(4-methylphenyl)-3-isoxazolecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-isopropyl-5-(4-methylphenyl)-3-isoxazolecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-isopropyl-5-(4-methylphenyl)-3-isoxazolecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.