5-(2-Oxolanylmethylamino)-2-thiophen-2-yl-4-oxazolecarbonitrile
TL;DR: 5-(2-Oxolanylmethylamino)-2-thiophen-2-yl-4-oxazolecarbonitrile (CAS 613650-09-2) is a chemical compound with molecular formula C13H13N3O2S and molecular weight 275.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(oxolan-2-ylmethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
Also Known As: 5-(2-oxolanylmethylamino)-2-thiophen-2-yl-4-oxazolecarbonitrile, 5-(oxolan-2-ylmethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile, 5-(tetrahydrofurfurylamino)-2-(2-thienyl)oxazole-4-carbonitrile, 5-[(tetrahydro-2-furanylmethyl)amino]-2-(2-thienyl)-1,3-oxazole-4-carbonitrile, 5-[(tetrahydrofuran-2-ylmethyl)amino]-2-(thiophen-2-yl)-1,3-oxazole-4-carbonitrile
| Molecular Formula | C13H13N3O2S |
|---|---|
| Molecular Weight | 275.07 g/mol |
| LogP | 2.86568 |
| Topological Polar Surface Area | 71.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.07285 |
| Heavy Atoms | 19 |
| Complexity | 579.55035 |
Chemical Identifiers
| CAS Number | 613650-09-2 |
|---|---|
| SMILES | C1CC(OC1)CNC2=C(N=C(O2)C3=CC=CS3)C#N |
Product Overview
5-(2-Oxolanylmethylamino)-2-thiophen-2-yl-4-oxazolecarbonitrile (CAS 613650-09-2), with molecular formula C13H13N3O2S and molecular weight 275.07 g/mol. IUPAC: 5-(oxolan-2-ylmethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of 5-(2-Oxolanylmethylamino)-2-thiophen-2-yl-4-oxazolecarbonitrile
Property Insights of 5-(2-Oxolanylmethylamino)-2-thiophen-2-yl-4-oxazolecarbonitrile
The XLogP value of 2.86568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-Oxolanylmethylamino)-2-thiophen-2-yl-4-oxazolecarbonitrile. The TPSA of 71.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-Oxolanylmethylamino)-2-thiophen-2-yl-4-oxazolecarbonitrile. Following Lipinski's Rule of Five, 5-(2-Oxolanylmethylamino)-2-thiophen-2-yl-4-oxazolecarbonitrile has 1 hydrogen bond donor(s) and 6 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-(2-Oxolanylmethylamino)-2-thiophen-2-yl-4-oxazolecarbonitrile?
The CAS number of 5-(2-Oxolanylmethylamino)-2-thiophen-2-yl-4-oxazolecarbonitrile is 613650-09-2.
What is the molecular formula of 5-(2-Oxolanylmethylamino)-2-thiophen-2-yl-4-oxazolecarbonitrile?
The molecular formula of 5-(2-Oxolanylmethylamino)-2-thiophen-2-yl-4-oxazolecarbonitrile is C13H13N3O2S.
What is the molecular weight of 5-(2-Oxolanylmethylamino)-2-thiophen-2-yl-4-oxazolecarbonitrile?
The molecular weight of 5-(2-Oxolanylmethylamino)-2-thiophen-2-yl-4-oxazolecarbonitrile is 275.07 g/mol.
Where can I buy 5-(2-Oxolanylmethylamino)-2-thiophen-2-yl-4-oxazolecarbonitrile?
You can request a quote for 5-(2-Oxolanylmethylamino)-2-thiophen-2-yl-4-oxazolecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-Oxolanylmethylamino)-2-thiophen-2-yl-4-oxazolecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Oxolanylmethylamino)-2-thiophen-2-yl-4-oxazolecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.