TL;DR: 2-(4-Bromophenyl)-4-isopropyl-4,5-dihydrooxazole (CAS 152619-40-4) is a chemical compound with molecular formula C12H14BrNO and molecular weight 267.02588 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-bromophenyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
Also Known As: 2-(4-Bromophenyl)-4-isopropyl-4,5-dihydrooxazole, Oxazole, 2-(4-bromophenyl)-4,5-dihydro-4-(1-methylethyl)-, (4S)-, N/A
| Molecular Formula | C12H14BrNO |
| Molecular Weight | 267.02588 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 21.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.02588 Da |
| Heavy Atoms | 15 |
| Complexity | 244.0 |
| SMILES | CC(C)C1COC(=N1)C2=CC=C(C=C2)Br |
| InChIKey | FSNFIZYNPOWQQU-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that 2-(4-Bromophenyl)-4-isopropyl-4,5-dihydrooxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.6 Ų, 2-(4-Bromophenyl)-4-isopropyl-4,5-dihydrooxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-4-isopropyl-4,5-dihydrooxazole has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(4-Bromophenyl)-4-isopropyl-4,5-dihydrooxazole is 152619-40-4.
The molecular formula of 2-(4-Bromophenyl)-4-isopropyl-4,5-dihydrooxazole is C12H14BrNO.
The molecular weight of 2-(4-Bromophenyl)-4-isopropyl-4,5-dihydrooxazole is 267.02588 g/mol.
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