5-(1-Naphthalenyl)-1,3,4-oxadiazol-2(3h)-one
TL;DR: 5-(1-Naphthalenyl)-1,3,4-oxadiazol-2(3h)-one (CAS 304654-38-4) is a chemical compound with molecular formula C12H8N2O2 and molecular weight 212.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-naphthalen-1-yl-3H-1,3,4-oxadiazol-2-one
Also Known As: J2.154.190G, 2-(1-Naphthyl)-1,3,4-oxadiazole-5(4H)-one, 5-naphthalen-1-yl-3H-1,3,4-oxadiazol-2-one, 5-(1-Naphthalenyl)-1,3,4-oxadiazol-2(3h)-one, 5-(naphthalen-1-yl)-2,3-dihydro-1,3,4-oxadiazol-2-one
| Molecular Formula | C12H8N2O2 |
|---|---|
| Molecular Weight | 212.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.05858 |
| Heavy Atoms | 16 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 304654-38-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2C3=NNC(=O)O3 |
| InChIKey | IKWOQGMVLATZJW-UHFFFAOYSA-N |
Product Overview
5-(1-Naphthalenyl)-1,3,4-oxadiazol-2(3h)-one (CAS 304654-38-4), with molecular formula C12H8N2O2 and molecular weight 212.06 g/mol. IUPAC: 5-naphthalen-1-yl-3H-1,3,4-oxadiazol-2-one.
Chemical Property Profile of 5-(1-Naphthalenyl)-1,3,4-oxadiazol-2(3h)-one
Property Insights of 5-(1-Naphthalenyl)-1,3,4-oxadiazol-2(3h)-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1-Naphthalenyl)-1,3,4-oxadiazol-2(3h)-one. With a topological polar surface area (TPSA) of 50.7 Ų, 5-(1-Naphthalenyl)-1,3,4-oxadiazol-2(3h)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(1-Naphthalenyl)-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
Frequently Asked Questions
What is the CAS number of 5-(1-Naphthalenyl)-1,3,4-oxadiazol-2(3h)-one?
The CAS number of 5-(1-Naphthalenyl)-1,3,4-oxadiazol-2(3h)-one is 304654-38-4.
What is the molecular formula of 5-(1-Naphthalenyl)-1,3,4-oxadiazol-2(3h)-one?
The molecular formula of 5-(1-Naphthalenyl)-1,3,4-oxadiazol-2(3h)-one is C12H8N2O2.
What is the molecular weight of 5-(1-Naphthalenyl)-1,3,4-oxadiazol-2(3h)-one?
The molecular weight of 5-(1-Naphthalenyl)-1,3,4-oxadiazol-2(3h)-one is 212.06 g/mol.
Where can I buy 5-(1-Naphthalenyl)-1,3,4-oxadiazol-2(3h)-one?
You can request a quote for 5-(1-Naphthalenyl)-1,3,4-oxadiazol-2(3h)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1-Naphthalenyl)-1,3,4-oxadiazol-2(3h)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(1-Naphthalenyl)-1,3,4-oxadiazol-2(3h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.