1,3,4-Oxadiazol-2(3H)-one, 5-(1,3-benzodioxol-5-yl)-3-(((4-chlorophenyl)amino)methyl)-
Basic information
- CAS
73484-50-1- Standard SMILES
O=c1oc(-c2ccc3c(c2)OCO3)nn1CNc1ccc(Cl)cc1- InChIKey
BOZFSGUUCBFZQM-UHFFFAOYSA-N- Molecular formula
- C16H12ClN3O4
- Average molar mass
- 345.73 g/mol
- Monoisotopic mass
- 345.0516336
Names & identifiers
- Preferred name
- 1,3,4-Oxadiazol-2(3H)-one, 5-(1,3-benzodioxol-5-yl)-3-(((4-chlorophenyl)amino)methyl)-
- IUPAC
- 5-(1,3-benzodioxol-5-yl)-3-[(4-chloroanilino)methyl]-1,3,4-oxadiazol-2-one
Names & synonyms
1,3,4-Oxadiazol-2(3H)-one, 5-(1,3-benzodioxol-5-yl)-3-(((4-chlorophenyl)amino)methyl)-5-(1,3-Benzodioxol-5-yl)-3-(((4-chlorophenyl)amino)methyl)-1,3,4-oxadiazol-2(3H)-one73484-50-1DTXSID00223691RefChem:216832DTXCID301461825-(2H-1,3-Benzodioxol-5-yl)-3-[(4-chloroanilino)methyl]-1,3,4-oxadiazol-2(3H)-one
Database identifiers
- CAS
73484-50-1- PubChem CID
- 3056166
- DTXSID
DTXSID00223691
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 72.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 510
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Compound notes
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