5-(Cyclopropylamino)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile
TL;DR: 5-(Cyclopropylamino)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile (CAS 613669-42-4) is a chemical compound with molecular formula C13H10FN3O and molecular weight 243.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(cyclopropylamino)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile
Also Known As: 5-(cyclopropylamino)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile, 5-(cyclopropylamino)-2-(4-fluorophenyl)oxazole-4-carbonitrile
| Molecular Formula | C13H10FN3O |
|---|---|
| Molecular Weight | 243.08 g/mol |
| LogP | 2.92668 |
| Topological Polar Surface Area | 61.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.0808 |
| Heavy Atoms | 18 |
| Complexity | 608.15686 |
Chemical Identifiers
| CAS Number | 613669-42-4 |
|---|---|
| SMILES | C1CC1NC2=C(N=C(O2)C3=CC=C(C=C3)F)C#N |
Product Overview
5-(Cyclopropylamino)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile (CAS 613669-42-4), with molecular formula C13H10FN3O and molecular weight 243.08 g/mol. IUPAC: 5-(cyclopropylamino)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of 5-(Cyclopropylamino)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile
Property Insights of 5-(Cyclopropylamino)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile
The XLogP value of 2.92668 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Cyclopropylamino)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile. The TPSA of 61.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Cyclopropylamino)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-(Cyclopropylamino)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile has 1 hydrogen bond donor(s) and 4 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-(Cyclopropylamino)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile?
The CAS number of 5-(Cyclopropylamino)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile is 613669-42-4.
What is the molecular formula of 5-(Cyclopropylamino)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile?
The molecular formula of 5-(Cyclopropylamino)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile is C13H10FN3O.
What is the molecular weight of 5-(Cyclopropylamino)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile?
The molecular weight of 5-(Cyclopropylamino)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile is 243.08 g/mol.
Where can I buy 5-(Cyclopropylamino)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile?
You can request a quote for 5-(Cyclopropylamino)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Cyclopropylamino)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(Cyclopropylamino)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.