![4-(Anilinomethylidene)-2-[2-(3-nitrophenyl)ethenyl]-1,3-oxazol-5(4H)-one structure](/static/products/5626/5626-99-3.webp)
4-(Anilinomethylidene)-2-[2-(3-nitrophenyl)ethenyl]-1,3-oxazol-5(4H)-one
TL;DR: 4-(Anilinomethylidene)-2-[2-(3-nitrophenyl)ethenyl]-1,3-oxazol-5(4H)-one (CAS 5626-99-3) is a chemical compound with molecular formula C18H13N3O4 and molecular weight 335.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3-nitrophenyl)ethenyl]-4-(phenyliminomethyl)-1,3-oxazol-5-ol
Also Known As: 4-(Anilinomethylidene)-2-[2-(3-nitrophenyl)ethenyl]-1,3-oxazol-5(4H)-one, 4-(anilinomethylidene)-2-[2-(3-nitrophenyl)ethenyl]-1,3-oxazol-5-one, 4-(Anilinomethylidene)-2-[2-(3-nitrophenyl)ethen-1-yl]-1,3-oxazol-5(4H)-one
| Molecular Formula | C18H13N3O4 |
|---|---|
| Molecular Weight | 335.09 g/mol |
| LogP | 4.2094 |
| Topological Polar Surface Area | 101.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.0906 |
| Heavy Atoms | 25 |
| Complexity | 945.96484 |
Chemical Identifiers
| CAS Number | 5626-99-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N=CC2=C(OC(=N2)C=CC3=CC(=CC=C3)[N+](=O)[O-])O |
Product Overview
4-(Anilinomethylidene)-2-[2-(3-nitrophenyl)ethenyl]-1,3-oxazol-5(4H)-one (CAS 5626-99-3), with molecular formula C18H13N3O4 and molecular weight 335.09 g/mol. IUPAC: 2-[2-(3-nitrophenyl)ethenyl]-4-(phenyliminomethyl)-1,3-oxazol-5-ol.
Chemical Property Profile of 4-(Anilinomethylidene)-2-[2-(3-nitrophenyl)ethenyl]-1,3-oxazol-5(4H)-one
Property Insights of 4-(Anilinomethylidene)-2-[2-(3-nitrophenyl)ethenyl]-1,3-oxazol-5(4H)-one
The XLogP value of 4.2094 indicates that 4-(Anilinomethylidene)-2-[2-(3-nitrophenyl)ethenyl]-1,3-oxazol-5(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Anilinomethylidene)-2-[2-(3-nitrophenyl)ethenyl]-1,3-oxazol-5(4H)-one. Following Lipinski's Rule of Five, 4-(Anilinomethylidene)-2-[2-(3-nitrophenyl)ethenyl]-1,3-oxazol-5(4H)-one has 1 hydrogen bond donor(s) and 6 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 4-(Anilinomethylidene)-2-[2-(3-nitrophenyl)ethenyl]-1,3-oxazol-5(4H)-one?
The CAS number of 4-(Anilinomethylidene)-2-[2-(3-nitrophenyl)ethenyl]-1,3-oxazol-5(4H)-one is 5626-99-3.
What is the molecular formula of 4-(Anilinomethylidene)-2-[2-(3-nitrophenyl)ethenyl]-1,3-oxazol-5(4H)-one?
The molecular formula of 4-(Anilinomethylidene)-2-[2-(3-nitrophenyl)ethenyl]-1,3-oxazol-5(4H)-one is C18H13N3O4.
What is the molecular weight of 4-(Anilinomethylidene)-2-[2-(3-nitrophenyl)ethenyl]-1,3-oxazol-5(4H)-one?
The molecular weight of 4-(Anilinomethylidene)-2-[2-(3-nitrophenyl)ethenyl]-1,3-oxazol-5(4H)-one is 335.09 g/mol.
Where can I buy 4-(Anilinomethylidene)-2-[2-(3-nitrophenyl)ethenyl]-1,3-oxazol-5(4H)-one?
You can request a quote for 4-(Anilinomethylidene)-2-[2-(3-nitrophenyl)ethenyl]-1,3-oxazol-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Anilinomethylidene)-2-[2-(3-nitrophenyl)ethenyl]-1,3-oxazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(Anilinomethylidene)-2-[2-(3-nitrophenyl)ethenyl]-1,3-oxazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.