![3-[(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]benzonitrile structure](/static/products/1752/175277-77-7.webp)
3-[(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]benzonitrile
TL;DR: 3-[(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]benzonitrile (CAS 175277-77-7) is a chemical compound with molecular formula C15H10N2O2 and molecular weight 250.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile
Also Known As: Maybridge1_008862, 3-[(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]benzonitrile, 3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile, SPB 06722, 6-amino-5-bromo-2-(ethylthio)pyrimidin-4-ol
| Molecular Formula | C15H10N2O2 |
|---|---|
| Molecular Weight | 250.07 g/mol |
| LogP | 2.51448 |
| Topological Polar Surface Area | 58.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.07423 |
| Heavy Atoms | 19 |
| Complexity | 836.96313 |
Chemical Identifiers
| CAS Number | 175277-77-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=O)O2)CC3=CC(=CC=C3)C#N |
Product Overview
3-[(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]benzonitrile (CAS 175277-77-7), with molecular formula C15H10N2O2 and molecular weight 250.07 g/mol. IUPAC: 3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile.
Chemical Property Profile of 3-[(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]benzonitrile
Property Insights of 3-[(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]benzonitrile
The XLogP value of 2.51448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]benzonitrile. With a topological polar surface area (TPSA) of 58.93 Ų, 3-[(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]benzonitrile has 0 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 3-[(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]benzonitrile?
The CAS number of 3-[(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]benzonitrile is 175277-77-7.
What is the molecular formula of 3-[(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]benzonitrile?
The molecular formula of 3-[(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]benzonitrile is C15H10N2O2.
What is the molecular weight of 3-[(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]benzonitrile?
The molecular weight of 3-[(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]benzonitrile is 250.07 g/mol.
Where can I buy 3-[(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]benzonitrile?
You can request a quote for 3-[(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.