N-(3-nitrophenyl)-3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanamide
TL;DR: N-(3-nitrophenyl)-3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanamide (CAS 831234-22-1) is a chemical compound with molecular formula C16H13N3O5 and molecular weight 327.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-nitrophenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
Also Known As: N-(3-nitrophenyl)-3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanamide, N-(3-nitrophenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide, N-(3-nitrophenyl)-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide, N-(3-nitrophenyl)-3-(2-oxobenzo[d]oxazol-3(2H)-yl)propanamide, N-(3-nitrophenyl)-3-(2-oxo(3-hydrobenzoxazol-3-yl))propanamide
| Molecular Formula | C16H13N3O5 |
|---|---|
| Molecular Weight | 327.09 g/mol |
| LogP | 2.5315 |
| Topological Polar Surface Area | 107.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.0855 |
| Heavy Atoms | 24 |
| Complexity | 973.00336 |
Chemical Identifiers
| CAS Number | 831234-22-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=O)O2)CCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
N-(3-nitrophenyl)-3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanamide (CAS 831234-22-1), with molecular formula C16H13N3O5 and molecular weight 327.09 g/mol. IUPAC: N-(3-nitrophenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
Chemical Property Profile of N-(3-nitrophenyl)-3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanamide
Property Insights of N-(3-nitrophenyl)-3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanamide
The XLogP value of 2.5315 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-nitrophenyl)-3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanamide. The TPSA of 107.38 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-nitrophenyl)-3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanamide. Following Lipinski's Rule of Five, N-(3-nitrophenyl)-3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanamide has 1 hydrogen bond donor(s) and 5 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-(3-nitrophenyl)-3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanamide?
The CAS number of N-(3-nitrophenyl)-3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanamide is 831234-22-1.
What is the molecular formula of N-(3-nitrophenyl)-3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanamide?
The molecular formula of N-(3-nitrophenyl)-3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanamide is C16H13N3O5.
What is the molecular weight of N-(3-nitrophenyl)-3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanamide?
The molecular weight of N-(3-nitrophenyl)-3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanamide is 327.09 g/mol.
Where can I buy N-(3-nitrophenyl)-3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanamide?
You can request a quote for N-(3-nitrophenyl)-3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-nitrophenyl)-3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-nitrophenyl)-3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.