TL;DR: (R)-tert-butyl (1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate (CAS 1173662-11-7) is a chemical compound with molecular formula C11H19N3O3S and molecular weight 273.11472 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-[(1R)-2-methyl-1-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propyl]carbamate
Also Known As: (R)-tert-butyl (1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate, tert-butyl N-[(1R)-2-methyl-1-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propyl]carbamate
| Molecular Formula | C11H19N3O3S |
| Molecular Weight | 273.11472 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.11472 Da |
| Heavy Atoms | 18 |
| Complexity | 374.0 |
| SMILES | CC(C)[C@H](C1=NNC(=S)O1)NC(=O)OC(C)(C)C |
| InChIKey | KINZFEBSPPBVNU-SSDOTTSWSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (R)-tert-butyl (1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (R)-tert-butyl (1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate. Following Lipinski's Rule of Five, (R)-tert-butyl (1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate has 2 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 (R)-tert-butyl (1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate is 1173662-11-7.
The molecular formula of (R)-tert-butyl (1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate is C11H19N3O3S.
The molecular weight of (R)-tert-butyl (1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate is 273.11472 g/mol.
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