5-(4-isopropylphenyl)-1,3,4-oxadiazol-2(3H)-one
TL;DR: 5-(4-isopropylphenyl)-1,3,4-oxadiazol-2(3H)-one (CAS 106728-67-0) is a chemical compound with molecular formula C11H12N2O2 and molecular weight 204.08987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-propan-2-ylphenyl)-3H-1,3,4-oxadiazol-2-one
Also Known As: US11634391, Compound 99, 5-(4-isopropylphenyl)-1,3,4-oxadiazol-2(3H)-one, 5-(4-isopropylphenyl)-1,3,4-oxadiazol-2-ol, 5-(4-propan-2-ylphenyl)-3H-1,3,4-oxadiazol-2-one
Technical Specifications
| Molecular Formula | C11H12N2O2 |
| Molecular Weight | 204.08987 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.08987 Da |
| Heavy Atoms | 15 |
| Complexity | 278.0 |
| SMILES | CC(C)C1=CC=C(C=C1)C2=NNC(=O)O2 |
| InChIKey | BMHMAEDSRHFCIW-UHFFFAOYSA-N |
Chemical Property Profile of 5-(4-isopropylphenyl)-1,3,4-oxadiazol-2(3H)-one
Property Insights of 5-(4-isopropylphenyl)-1,3,4-oxadiazol-2(3H)-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-isopropylphenyl)-1,3,4-oxadiazol-2(3H)-one. With a topological polar surface area (TPSA) of 50.7 Ų, 5-(4-isopropylphenyl)-1,3,4-oxadiazol-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-isopropylphenyl)-1,3,4-oxadiazol-2(3H)-one 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
What is the CAS number of 5-(4-isopropylphenyl)-1,3,4-oxadiazol-2(3H)-one?
The CAS number of 5-(4-isopropylphenyl)-1,3,4-oxadiazol-2(3H)-one is 106728-67-0.
What is the molecular formula of 5-(4-isopropylphenyl)-1,3,4-oxadiazol-2(3H)-one?
The molecular formula of 5-(4-isopropylphenyl)-1,3,4-oxadiazol-2(3H)-one is C11H12N2O2.
What is the molecular weight of 5-(4-isopropylphenyl)-1,3,4-oxadiazol-2(3H)-one?
The molecular weight of 5-(4-isopropylphenyl)-1,3,4-oxadiazol-2(3H)-one is 204.08987 g/mol.
Where can I buy 5-(4-isopropylphenyl)-1,3,4-oxadiazol-2(3H)-one?
You can request a quote for 5-(4-isopropylphenyl)-1,3,4-oxadiazol-2(3H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(4-isopropylphenyl)-1,3,4-oxadiazol-2(3H)-one?
Yes, CoreyChem provides custom synthesis services for 5-(4-isopropylphenyl)-1,3,4-oxadiazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.