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N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline
TL;DR: N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline (CAS 700853-18-5) is a chemical compound with molecular formula C15H13N3O and molecular weight 251.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline
Also Known As: N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline, SDCCGMLS-0045864.P002, AO-081/42376867, N-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amine
| Molecular Formula | C15H13N3O |
|---|---|
| Molecular Weight | 251.11 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.10587 |
| Heavy Atoms | 19 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 700853-18-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NOC(=N2)CNC3=CC=CC=C3 |
| InChIKey | KVZIUGGVUJTACY-UHFFFAOYSA-N |
Product Overview
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline (CAS 700853-18-5), with molecular formula C15H13N3O and molecular weight 251.11 g/mol. IUPAC: N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline.
Chemical Property Profile of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline
Property Insights of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline
The XLogP value of 3.3 indicates that N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.0 Ų, N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline has 1 hydrogen bond donor(s) and 4 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-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline?
The CAS number of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline is 700853-18-5.
What is the molecular formula of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline?
The molecular formula of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline is C15H13N3O.
What is the molecular weight of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline?
The molecular weight of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline is 251.11 g/mol.
Where can I buy N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline?
You can request a quote for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.