TL;DR: Dimethyl[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]amine (CAS 153813-67-3) is a chemical compound with molecular formula C8H11N3O3 and molecular weight 197.08005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-dimethyl-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenamine
Also Known As: dimethyl[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]amine, N,N-dimethyl-2-(3-methyl-4-nitro-5-isoxazolyl)-1-ethylenamine, N,N-dimethyl-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenamine
| Molecular Formula | C8H11N3O3 |
| Molecular Weight | 197.08005 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 75.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.08005 Da |
| Heavy Atoms | 14 |
| Complexity | 236.0 |
| SMILES | CC1=NOC(=C1[N+](=O)[O-])C=CN(C)C |
| InChIKey | RWJVMTFPQZAWIY-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]amine. The TPSA of 75.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]amine. Following Lipinski's Rule of Five, Dimethyl[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]amine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Dimethyl[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]amine is 153813-67-3.
The molecular formula of Dimethyl[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]amine is C8H11N3O3.
The molecular weight of Dimethyl[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]amine is 197.08005 g/mol.
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