TL;DR: 2-{3-[4-(Dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}phenol (CAS 144726-73-8) is a chemical compound with molecular formula C16H15N3O2 and molecular weight 281.11642 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol
Also Known As: 2-{3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}phenol, AE-848/30690016, (6E)-6-[3-(4-dimethylaminophenyl)-2H-1,2,4-oxadiazol-5-ylidene]cyclohexa-2,4-dien-1-one, (6Z)-6-[3-(4-dimethylaminophenyl)-2H-1,2,4-oxadiazol-5-ylidene]cyclohexa-2,4-dien-1-one, 6-[3-(4-dimethylaminophenyl)-2H-1,2,4-oxadiazol-5-ylidene]cyclohexa-2,4-dien-1-one
| Molecular Formula | C16H15N3O2 |
| Molecular Weight | 281.11642 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 62.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.11642 Da |
| Heavy Atoms | 21 |
| Complexity | 331.0 |
| SMILES | CN(C)C1=CC=C(C=C1)C2=NOC(=N2)C3=CC=CC=C3O |
| InChIKey | AOSHYMUQWGQTPI-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 2-{3-[4-(Dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{3-[4-(Dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}phenol. Following Lipinski's Rule of Five, 2-{3-[4-(Dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}phenol 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 2-{3-[4-(Dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}phenol is 144726-73-8.
The molecular formula of 2-{3-[4-(Dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}phenol is C16H15N3O2.
The molecular weight of 2-{3-[4-(Dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}phenol is 281.11642 g/mol.
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