TL;DR: (3-(2-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YL)-N-(4-((ISOPROPYL)PHENYLAMINO)PHENYL)FORMAMIDE (CAS 1022759-79-0) is a chemical compound with molecular formula C26H24ClN3O2 and molecular weight 445.1557 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-chlorophenyl)-5-methyl-N-[4-(N-propan-2-ylanilino)phenyl]-1,2-oxazole-4-carboxamide
Also Known As: (3-(2-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YL)-N-(4-((ISOPROPYL)PHENYLAMINO)PHENYL)FORMAMIDE, 3-(2-chlorophenyl)-5-methyl-N-[4-(N-propan-2-ylanilino)phenyl]-1,2-oxazole-4-carboxamide, 3-(2-chlorophenyl)-N-[4-(N-isopropylanilino)phenyl]-5-methyl-isoxazole-4-carboxamide, 3-(2-chlorophenyl)-5-methyl-N-[4-(phenyl-propan-2-yl-amino)phenyl]-1,2-oxazole-4-carboxamide, 3-(2-chlorophenyl)-5-methyl-N-{4-[phenyl(propan-2-yl)amino]phenyl}-1,2-oxazole-4-carboxamide
| Molecular Formula | C26H24ClN3O2 |
| Molecular Weight | 445.1557 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 58.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.1557 Da |
| Heavy Atoms | 32 |
| Complexity | 604.0 |
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=CC=C(C=C3)N(C4=CC=CC=C4)C(C)C |
| InChIKey | KYAPKQVZDDHJJD-UHFFFAOYSA-N |
The XLogP value of 6.4 indicates that (3-(2-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YL)-N-(4-((ISOPROPYL)PHENYLAMINO)PHENYL)FORMAMIDE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.4 Ų, (3-(2-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YL)-N-(4-((ISOPROPYL)PHENYLAMINO)PHENYL)FORMAMIDE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-(2-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YL)-N-(4-((ISOPROPYL)PHENYLAMINO)PHENYL)FORMAMIDE has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (3-(2-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YL)-N-(4-((ISOPROPYL)PHENYLAMINO)PHENYL)FORMAMIDE is 1022759-79-0.
The molecular formula of (3-(2-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YL)-N-(4-((ISOPROPYL)PHENYLAMINO)PHENYL)FORMAMIDE is C26H24ClN3O2.
The molecular weight of (3-(2-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YL)-N-(4-((ISOPROPYL)PHENYLAMINO)PHENYL)FORMAMIDE is 445.1557 g/mol.
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