TL;DR: (E)-2-(benzo[d]oxazol-2-ylthio)-N'-(2-methylbenzylidene)acetohydrazide (CAS 1426835-44-0) is a chemical compound with molecular formula C17H15N3O2S and molecular weight 325.0885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide
Also Known As: (E)-2-(benzo[d]oxazol-2-ylthio)-N'-(2-methylbenzylidene)acetohydrazide, N-[(1E)-2-(2-methylphenyl)-1-azavinyl]-2-benzoxazol-2-ylthioacetamide, (Benzooxazol-2-ylsulfanyl)-acetic acid [1-o-tolyl-meth-(E)-ylidene]-hydrazide, 2-(1,3-benzoxazol-2-ylsulfanyl)-N'-[(E)-(2-methylphenyl)methylidene]acetohydrazide, 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide
| Molecular Formula | C17H15N3O2S |
| Molecular Weight | 325.0885 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 92.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.0885 Da |
| Heavy Atoms | 23 |
| Complexity | 432.0 |
| SMILES | CC1=CC=CC=C1/C=N/NC(=O)CSC2=NC3=CC=CC=C3O2 |
| InChIKey | KKLCJVQEAOLJEV-VCHYOVAHSA-N |
The XLogP value of 4.0 indicates that (E)-2-(benzo[d]oxazol-2-ylthio)-N'-(2-methylbenzylidene)acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(benzo[d]oxazol-2-ylthio)-N'-(2-methylbenzylidene)acetohydrazide. Following Lipinski's Rule of Five, (E)-2-(benzo[d]oxazol-2-ylthio)-N'-(2-methylbenzylidene)acetohydrazide has 1 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 (E)-2-(benzo[d]oxazol-2-ylthio)-N'-(2-methylbenzylidene)acetohydrazide is 1426835-44-0.
The molecular formula of (E)-2-(benzo[d]oxazol-2-ylthio)-N'-(2-methylbenzylidene)acetohydrazide is C17H15N3O2S.
The molecular weight of (E)-2-(benzo[d]oxazol-2-ylthio)-N'-(2-methylbenzylidene)acetohydrazide is 325.0885 g/mol.
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