TL;DR: C15H20ClN3O.ClH (CAS 102504-34-7) is a chemical compound with molecular formula C15H20Cl2N3O- and molecular weight 328.09833 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chlorophenyl)-5-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,3,4-oxadiazole chloride
Also Known As: 5-(Ethylthio)-1H-tetrazole, 2-(4-chlorophenyl)-5-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,3,4-oxadiazole chloride, 2-(4-chlorophenyl)-5-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,3,4-oxadiazole;chloride, delta(sup 4)-1,2,4-Oxadiazoline, 3-(p-chlorophenyl)-5-(3-(1-pyrrolidinyl)propyl)-, hydrochloride, 1,2,4-Oxadiazole,3-(4-chlorophenyl)-2,3-dihydro-5-[3-(1-pyrrolidinyl)propyl]-, hydrochloride(1:1)
| Molecular Formula | C15H20Cl2N3O- |
| Molecular Weight | 328.09833 g/mol |
| XLogP | 0.15 |
| Topological Polar Surface Area (TPSA) | 36.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.09833 Da |
| Heavy Atoms | 21 |
| Complexity | 336.0 |
| SMILES | C1CCN(C1)CCCC2=NNC(O2)C3=CC=C(C=C3)Cl.[Cl-] |
| InChIKey | ZFQVYAJFXIBCIF-UHFFFAOYSA-M |
The XLogP value of 0.15 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C15H20ClN3O.ClH. With a topological polar surface area (TPSA) of 36.9 Ų, C15H20ClN3O.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C15H20ClN3O.ClH 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 C15H20ClN3O.ClH is 102504-34-7.
The molecular formula of C15H20ClN3O.ClH is C15H20Cl2N3O-.
The molecular weight of C15H20ClN3O.ClH is 328.09833 g/mol.
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