1,3,4-Oxadiazole-2-methanol, 5-(3-(trifluoromethyl)phenyl)-, methylcarbamate (ester)
TL;DR: 1,3,4-Oxadiazole-2-methanol, 5-(3-(trifluoromethyl)phenyl)-, methylcarbamate (ester) (CAS 54014-34-5) is a chemical compound with molecular formula C12H10F3N3O3 and molecular weight 301.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]methyl N-methylcarbamate
Also Known As: 1,3,4-Oxadiazole-2-methanol, 5-(3-(trifluoromethyl)phenyl)-, methylcarbamate (ester), 5-(3-(Trifluoromethyl)phenyl)-1,3,4-oxadiazole-2-methanol methylcarbamate (ester), {5-[3-(Trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl}methyl methylcarbamate, [5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]methyl N-methylcarbamate, RefChem:216970
| Molecular Formula | C12H10F3N3O3 |
|---|---|
| Molecular Weight | 301.07 g/mol |
| LogP | 2.6114 |
| Topological Polar Surface Area | 77.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.0674 |
| Heavy Atoms | 21 |
| Complexity | 639.91815 |
Chemical Identifiers
| CAS Number | 54014-34-5 |
|---|---|
| SMILES | CNC(=O)OCC1=NN=C(O1)C2=CC(=CC=C2)C(F)(F)F |
Product Overview
1,3,4-Oxadiazole-2-methanol, 5-(3-(trifluoromethyl)phenyl)-, methylcarbamate (ester) (CAS 54014-34-5), with molecular formula C12H10F3N3O3 and molecular weight 301.07 g/mol. IUPAC: [5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]methyl N-methylcarbamate.
Chemical Property Profile of 1,3,4-Oxadiazole-2-methanol, 5-(3-(trifluoromethyl)phenyl)-, methylcarbamate (ester)
Property Insights of 1,3,4-Oxadiazole-2-methanol, 5-(3-(trifluoromethyl)phenyl)-, methylcarbamate (ester)
The XLogP value of 2.6114 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,4-Oxadiazole-2-methanol, 5-(3-(trifluoromethyl)phenyl)-, methylcarbamate (ester). The TPSA of 77.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,4-Oxadiazole-2-methanol, 5-(3-(trifluoromethyl)phenyl)-, methylcarbamate (ester). Following Lipinski's Rule of Five, 1,3,4-Oxadiazole-2-methanol, 5-(3-(trifluoromethyl)phenyl)-, methylcarbamate (ester) 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 1,3,4-Oxadiazole-2-methanol, 5-(3-(trifluoromethyl)phenyl)-, methylcarbamate (ester)?
The CAS number of 1,3,4-Oxadiazole-2-methanol, 5-(3-(trifluoromethyl)phenyl)-, methylcarbamate (ester) is 54014-34-5.
What is the molecular formula of 1,3,4-Oxadiazole-2-methanol, 5-(3-(trifluoromethyl)phenyl)-, methylcarbamate (ester)?
The molecular formula of 1,3,4-Oxadiazole-2-methanol, 5-(3-(trifluoromethyl)phenyl)-, methylcarbamate (ester) is C12H10F3N3O3.
What is the molecular weight of 1,3,4-Oxadiazole-2-methanol, 5-(3-(trifluoromethyl)phenyl)-, methylcarbamate (ester)?
The molecular weight of 1,3,4-Oxadiazole-2-methanol, 5-(3-(trifluoromethyl)phenyl)-, methylcarbamate (ester) is 301.07 g/mol.
Where can I buy 1,3,4-Oxadiazole-2-methanol, 5-(3-(trifluoromethyl)phenyl)-, methylcarbamate (ester)?
You can request a quote for 1,3,4-Oxadiazole-2-methanol, 5-(3-(trifluoromethyl)phenyl)-, methylcarbamate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4-Oxadiazole-2-methanol, 5-(3-(trifluoromethyl)phenyl)-, methylcarbamate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-Oxadiazole-2-methanol, 5-(3-(trifluoromethyl)phenyl)-, methylcarbamate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.