TL;DR: Tert-butyl N-{1-[5-(ethylsulfanyl)-1,3,4-oxadiazol-2-YL]ethyl}carbamate (CAS 1164503-43-8) 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-[(1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
Also Known As: (S)-tert-butyl (1-(5-(ethylthio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate, N-[(1S)-1-(5-ethylthio(1,3,4-oxadiazol-2-yl))ethyl](tert-butoxy)carboxamide, tert-butyl N-[(1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate, TERT-BUTYL N-{1-[5-(ETHYLSULFANYL)-1,3,4-OXADIAZOL-2-YL]ETHYL}CARBAMATE
| Molecular Formula | C11H19N3O3S |
| Molecular Weight | 273.11472 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 273.11472 Da |
| Heavy Atoms | 18 |
| Complexity | 283.0 |
| SMILES | CCSC1=NN=C(O1)[C@H](C)NC(=O)OC(C)(C)C |
| InChIKey | MHIFYFKOTBCSGQ-ZETCQYMHSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl N-{1-[5-(ethylsulfanyl)-1,3,4-oxadiazol-2-YL]ethyl}carbamate. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Tert-butyl N-{1-[5-(ethylsulfanyl)-1,3,4-oxadiazol-2-YL]ethyl}carbamate. Following Lipinski's Rule of Five, Tert-butyl N-{1-[5-(ethylsulfanyl)-1,3,4-oxadiazol-2-YL]ethyl}carbamate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Tert-butyl N-{1-[5-(ethylsulfanyl)-1,3,4-oxadiazol-2-YL]ethyl}carbamate is 1164503-43-8.
The molecular formula of Tert-butyl N-{1-[5-(ethylsulfanyl)-1,3,4-oxadiazol-2-YL]ethyl}carbamate is C11H19N3O3S.
The molecular weight of Tert-butyl N-{1-[5-(ethylsulfanyl)-1,3,4-oxadiazol-2-YL]ethyl}carbamate is 273.11472 g/mol.
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