TL;DR: (E)-2-cyano-N-cyclopropyl-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]prop-2-enamide (CAS 1445759-91-0) is a chemical compound with molecular formula C17H18N4O2 and molecular weight 310.14297 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-cyano-N-cyclopropyl-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]prop-2-enamide
Also Known As: (E)-2-cyano-N-cyclopropyl-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]prop-2-enamide, 2-cyano-N-cyclopropyl-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-1H-pyrrol-3-yl]prop-2-enamide
| Molecular Formula | C17H18N4O2 |
| Molecular Weight | 310.14297 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.14297 Da |
| Heavy Atoms | 23 |
| Complexity | 548.0 |
| SMILES | CC1=CC(=C(N1C2=NOC(=C2)C)C)/C=C(\C#N)/C(=O)NC3CC3 |
| InChIKey | VDNATVYKIIYMCM-RIYZIHGNSA-N |
The XLogP value of 3.0 indicates that (E)-2-cyano-N-cyclopropyl-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-cyano-N-cyclopropyl-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]prop-2-enamide. Following Lipinski's Rule of Five, (E)-2-cyano-N-cyclopropyl-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]prop-2-enamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (E)-2-cyano-N-cyclopropyl-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]prop-2-enamide is 1445759-91-0.
The molecular formula of (E)-2-cyano-N-cyclopropyl-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]prop-2-enamide is C17H18N4O2.
The molecular weight of (E)-2-cyano-N-cyclopropyl-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]prop-2-enamide is 310.14297 g/mol.
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