5-(1,2-Oxazol-3-yl)thiophene-2-carbonitrile
TL;DR: 5-(1,2-Oxazol-3-yl)thiophene-2-carbonitrile (CAS 175205-67-1) is a chemical compound with molecular formula C8H4N2OS and molecular weight 176.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,2-oxazol-3-yl)thiophene-2-carbonitrile
Also Known As: Maybridge1_007480, 2-Cyano-5-(isoxasol)thiophene, 5-(1,2-oxazol-3-yl)thiophene-2-carbonitrile, 5-(Isoxazol-3-yl)thiophene-2-carbonitrile, 2-Cyano-5-(isoxasol-3-yl)thiophene
| Molecular Formula | C8H4N2OS |
|---|---|
| Molecular Weight | 176.00 g/mol |
| LogP | 2.27478 |
| Topological Polar Surface Area | 49.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.00444 |
| Heavy Atoms | 12 |
| Complexity | 410.44977 |
Chemical Identifiers
| CAS Number | 175205-67-1 |
|---|---|
| SMILES | C1=CON=C1C2=CC=C(S2)C#N |
Product Overview
5-(1,2-Oxazol-3-yl)thiophene-2-carbonitrile (CAS 175205-67-1), with molecular formula C8H4N2OS and molecular weight 176.00 g/mol. IUPAC: 5-(1,2-oxazol-3-yl)thiophene-2-carbonitrile.
Chemical Property Profile of 5-(1,2-Oxazol-3-yl)thiophene-2-carbonitrile
Property Insights of 5-(1,2-Oxazol-3-yl)thiophene-2-carbonitrile
The XLogP value of 2.27478 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1,2-Oxazol-3-yl)thiophene-2-carbonitrile. With a topological polar surface area (TPSA) of 49.82 Ų, 5-(1,2-Oxazol-3-yl)thiophene-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(1,2-Oxazol-3-yl)thiophene-2-carbonitrile has 0 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-(1,2-Oxazol-3-yl)thiophene-2-carbonitrile?
The CAS number of 5-(1,2-Oxazol-3-yl)thiophene-2-carbonitrile is 175205-67-1.
What is the molecular formula of 5-(1,2-Oxazol-3-yl)thiophene-2-carbonitrile?
The molecular formula of 5-(1,2-Oxazol-3-yl)thiophene-2-carbonitrile is C8H4N2OS.
What is the molecular weight of 5-(1,2-Oxazol-3-yl)thiophene-2-carbonitrile?
The molecular weight of 5-(1,2-Oxazol-3-yl)thiophene-2-carbonitrile is 176.00 g/mol.
Where can I buy 5-(1,2-Oxazol-3-yl)thiophene-2-carbonitrile?
You can request a quote for 5-(1,2-Oxazol-3-yl)thiophene-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1,2-Oxazol-3-yl)thiophene-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,2-Oxazol-3-yl)thiophene-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.