1,3,4-Oxadiazol-2(3H)-one, 5-(1-methylethyl)-
TL;DR: 1,3,4-Oxadiazol-2(3H)-one, 5-(1-methylethyl)- (CAS 1711-88-2) is a chemical compound with molecular formula C5H8N2O2 and molecular weight 128.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-propan-2-yl-3H-1,3,4-oxadiazol-2-one
Also Known As: 5-Isopropyl-1,3,4-oxadiazol-2(3H)-one, 1,3,4-Oxadiazol-2(3H)-one, 5-(1-methylethyl)-, 5-(1-Methylethyl)-1,3,4-oxadiazol-2(3H)-one, 5-propan-2-yl-3H-1,3,4-oxadiazol-2-one, 8-(trifluoromethyl)chroman-4-one
| Molecular Formula | C5H8N2O2 |
|---|---|
| Molecular Weight | 128.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 128.05858 |
| Heavy Atoms | 9 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 1711-88-2 |
|---|---|
| SMILES | CC(C)C1=NNC(=O)O1 |
| InChIKey | YUJVMSLMIGONMN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,4-Oxadiazol-2(3H)-one, 5-(1-methylethyl)- (CAS 1711-88-2), with molecular formula C5H8N2O2 and molecular weight 128.06 g/mol. IUPAC: 5-propan-2-yl-3H-1,3,4-oxadiazol-2-one.
Chemical Property Profile of 1,3,4-Oxadiazol-2(3H)-one, 5-(1-methylethyl)-
Property Insights of 1,3,4-Oxadiazol-2(3H)-one, 5-(1-methylethyl)-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,4-Oxadiazol-2(3H)-one, 5-(1-methylethyl)-. With a topological polar surface area (TPSA) of 50.7 Ų, 1,3,4-Oxadiazol-2(3H)-one, 5-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,4-Oxadiazol-2(3H)-one, 5-(1-methylethyl)- has 1 hydrogen bond donor(s) and 3 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-Oxadiazol-2(3H)-one, 5-(1-methylethyl)-?
The CAS number of 1,3,4-Oxadiazol-2(3H)-one, 5-(1-methylethyl)- is 1711-88-2.
What is the molecular formula of 1,3,4-Oxadiazol-2(3H)-one, 5-(1-methylethyl)-?
The molecular formula of 1,3,4-Oxadiazol-2(3H)-one, 5-(1-methylethyl)- is C5H8N2O2.
What is the molecular weight of 1,3,4-Oxadiazol-2(3H)-one, 5-(1-methylethyl)-?
The molecular weight of 1,3,4-Oxadiazol-2(3H)-one, 5-(1-methylethyl)- is 128.06 g/mol.
Where can I buy 1,3,4-Oxadiazol-2(3H)-one, 5-(1-methylethyl)-?
You can request a quote for 1,3,4-Oxadiazol-2(3H)-one, 5-(1-methylethyl)- 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-Oxadiazol-2(3H)-one, 5-(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-Oxadiazol-2(3H)-one, 5-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.