4-Isoxazolecarboxamide, N,3-dimethyl-5-(5-nitro-2-furyl)-
TL;DR: 4-Isoxazolecarboxamide, N,3-dimethyl-5-(5-nitro-2-furyl)- (CAS 21787-35-9) is a chemical compound with molecular formula C10H9N3O5 and molecular weight 251.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,3-dimethyl-5-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxamide
Also Known As: N,3-Dimethyl-5-(5-nitro-2-furyl)-4-isoxazolecarboxamide, 4-ISOXAZOLECARBOXAMIDE, N,3-DIMETHYL-5-(5-NITRO-2-FURYL)-, N,3-dimethyl-5-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxamide, 3,3',4,4',5,5',6,6'-octahydro-2,2'-bipyrimidine, RefChem:293696
| Molecular Formula | C10H9N3O5 |
|---|---|
| Molecular Weight | 251.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.05421 |
| Heavy Atoms | 18 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 21787-35-9 |
|---|---|
| SMILES | CC1=NOC(=C1C(=O)NC)C2=CC=C(O2)[N+](=O)[O-] |
| InChIKey | AMFMEUVOBYWBTB-UHFFFAOYSA-N |
Product Overview
4-Isoxazolecarboxamide, N,3-dimethyl-5-(5-nitro-2-furyl)- (CAS 21787-35-9), with molecular formula C10H9N3O5 and molecular weight 251.05 g/mol. IUPAC: N,3-dimethyl-5-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxamide.
Chemical Property Profile of 4-Isoxazolecarboxamide, N,3-dimethyl-5-(5-nitro-2-furyl)-
Property Insights of 4-Isoxazolecarboxamide, N,3-dimethyl-5-(5-nitro-2-furyl)-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isoxazolecarboxamide, N,3-dimethyl-5-(5-nitro-2-furyl)-. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Isoxazolecarboxamide, N,3-dimethyl-5-(5-nitro-2-furyl)-. Following Lipinski's Rule of Five, 4-Isoxazolecarboxamide, N,3-dimethyl-5-(5-nitro-2-furyl)- 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-Isoxazolecarboxamide, N,3-dimethyl-5-(5-nitro-2-furyl)-?
The CAS number of 4-Isoxazolecarboxamide, N,3-dimethyl-5-(5-nitro-2-furyl)- is 21787-35-9.
What is the molecular formula of 4-Isoxazolecarboxamide, N,3-dimethyl-5-(5-nitro-2-furyl)-?
The molecular formula of 4-Isoxazolecarboxamide, N,3-dimethyl-5-(5-nitro-2-furyl)- is C10H9N3O5.
What is the molecular weight of 4-Isoxazolecarboxamide, N,3-dimethyl-5-(5-nitro-2-furyl)-?
The molecular weight of 4-Isoxazolecarboxamide, N,3-dimethyl-5-(5-nitro-2-furyl)- is 251.05 g/mol.
Where can I buy 4-Isoxazolecarboxamide, N,3-dimethyl-5-(5-nitro-2-furyl)-?
You can request a quote for 4-Isoxazolecarboxamide, N,3-dimethyl-5-(5-nitro-2-furyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isoxazolecarboxamide, N,3-dimethyl-5-(5-nitro-2-furyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4-Isoxazolecarboxamide, N,3-dimethyl-5-(5-nitro-2-furyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.