2-(1H-indol-3-yl)-4,5-dihydro-1,3-oxazole
TL;DR: 2-(1H-indol-3-yl)-4,5-dihydro-1,3-oxazole (CAS 54584-31-5) is a chemical compound with molecular formula C11H10N2O and molecular weight 186.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-indol-3-yl)-4,5-dihydro-1,3-oxazole
Also Known As: 2-(3-indolyl)-2-oxazoline, Maybridge3_004454, 2-(1H-indol-3-yl)-4,5-dihydro-1,3-oxazole, IDI1_015841, 2-(1H-Indol-3-yl)-4,5-dihydrooxazole
| Molecular Formula | C11H10N2O |
|---|---|
| Molecular Weight | 186.08 g/mol |
| LogP | 1.9447 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.07932 |
| Heavy Atoms | 14 |
| Complexity | 498.71176 |
Chemical Identifiers
| CAS Number | 54584-31-5 |
|---|---|
| SMILES | C1COC(=N1)C2=CNC3=CC=CC=C32 |
Product Overview
2-(1H-indol-3-yl)-4,5-dihydro-1,3-oxazole (CAS 54584-31-5), with molecular formula C11H10N2O and molecular weight 186.08 g/mol. IUPAC: 2-(1H-indol-3-yl)-4,5-dihydro-1,3-oxazole.
Chemical Property Profile of 2-(1H-indol-3-yl)-4,5-dihydro-1,3-oxazole
Property Insights of 2-(1H-indol-3-yl)-4,5-dihydro-1,3-oxazole
The XLogP value of 1.9447 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-indol-3-yl)-4,5-dihydro-1,3-oxazole. With a topological polar surface area (TPSA) of 37.38 Ų, 2-(1H-indol-3-yl)-4,5-dihydro-1,3-oxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1H-indol-3-yl)-4,5-dihydro-1,3-oxazole has 1 hydrogen bond donor(s) and 2 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 2-(1H-indol-3-yl)-4,5-dihydro-1,3-oxazole?
The CAS number of 2-(1H-indol-3-yl)-4,5-dihydro-1,3-oxazole is 54584-31-5.
What is the molecular formula of 2-(1H-indol-3-yl)-4,5-dihydro-1,3-oxazole?
The molecular formula of 2-(1H-indol-3-yl)-4,5-dihydro-1,3-oxazole is C11H10N2O.
What is the molecular weight of 2-(1H-indol-3-yl)-4,5-dihydro-1,3-oxazole?
The molecular weight of 2-(1H-indol-3-yl)-4,5-dihydro-1,3-oxazole is 186.08 g/mol.
Where can I buy 2-(1H-indol-3-yl)-4,5-dihydro-1,3-oxazole?
You can request a quote for 2-(1H-indol-3-yl)-4,5-dihydro-1,3-oxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-indol-3-yl)-4,5-dihydro-1,3-oxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-indol-3-yl)-4,5-dihydro-1,3-oxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.