2-(2-Hydroxyphenyl)-4-(3-(1-pyrrolidinyl)propyl)-4H-1,3,4-oxadiazin-5(6H)-one
2-(2-hydroxyphenyl)-4-(3-pyrrolidin-1-ylpropyl)-1,3,4-oxadiazin-5-one
Also Known As: NCIStruc1_001684|NCIStruc2_001519|NCGC00014664-02|NCGC00097767-01|NCI60_002483|2-(2-Hydroxyphenyl)-4-(3-(1-pyrrolidinyl)propyl)-4H-1,3,4-oxadiazin-5(6H)-one|2-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-(3-pyrrolidin-1-ylpropyl)-1,3,4-oxadiazinan-5-one|2-(2-hydroxyphenyl)-4-(3-pyrrolidin-1-ylpropyl)-1,3,4-oxadiazin-5-one|4-(2-chloro-ethyl)-2-(2-hydroxy-phenyl)-4H-[1,3,4]oxadiazin-5-one|(2E)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-(3-pyrrolidin-1-ylpropyl)-1,3,4-oxadiazinan-5-one|(2Z)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-(3-pyrrolidin-1-ylpropyl)-1,3,4-oxadiazinan-5-one
| Molecular Formula | C16H21N3O3 |
|---|---|
| Molecular Weight | 303.1583 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 65.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.1583 |
| Monoisotopic Mass | 303.1583 |
| Heavy Atoms | 22 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 53995-45-2 |
|---|---|
| SMILES | C1CCN(C1)CCCN2C(=O)COC(=N2)C3=CC=CC=C3O |
| InChIKey | IZZNABZGGIDDSD-UHFFFAOYSA-N |
Product Overview
2-(2-Hydroxyphenyl)-4-(3-(1-pyrrolidinyl)propyl)-4H-1,3,4-oxadiazin-5(6H)-one (CAS 53995-45-2), with molecular formula C16H21N3O3 and molecular weight 303.1583 g/mol. IUPAC: 2-(2-hydroxyphenyl)-4-(3-pyrrolidin-1-ylpropyl)-1,3,4-oxadiazin-5-one.