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4-[(methylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one
TL;DR: 4-[(methylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one (CAS 165608-41-3) is a chemical compound with molecular formula C11H10N2O2 and molecular weight 202.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(methyliminomethyl)-2-phenyl-1,3-oxazol-5-ol
Also Known As: 4-[(methylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one, J1.506.370J, 2-Phenyl-4-(methylaminomethylene)oxazole-5(4H)-one, 4-(methyliminomethyl)-2-phenyl-1,3-oxazol-5-ol, AJ-077/33272061
| Molecular Formula | C11H10N2O2 |
|---|---|
| Molecular Weight | 202.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.07423 |
| Heavy Atoms | 15 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 165608-41-3 |
|---|---|
| SMILES | CN=CC1=C(OC(=N1)C2=CC=CC=C2)O |
| InChIKey | NHBUZJDSBIXEPC-UHFFFAOYSA-N |
Product Overview
4-[(methylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one (CAS 165608-41-3), with molecular formula C11H10N2O2 and molecular weight 202.07 g/mol. IUPAC: 4-(methyliminomethyl)-2-phenyl-1,3-oxazol-5-ol.
Chemical Property Profile of 4-[(methylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one
Property Insights of 4-[(methylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(methylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one. With a topological polar surface area (TPSA) of 58.6 Ų, 4-[(methylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(methylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one 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 4-[(methylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one?
The CAS number of 4-[(methylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one is 165608-41-3.
What is the molecular formula of 4-[(methylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one?
The molecular formula of 4-[(methylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one is C11H10N2O2.
What is the molecular weight of 4-[(methylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one?
The molecular weight of 4-[(methylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one is 202.07 g/mol.
Where can I buy 4-[(methylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one?
You can request a quote for 4-[(methylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(methylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[(methylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.