1,3,4-Oxadiazole-2(3H)-thione, 5-((4-(2-benzoxazolyl)phenoxy)methyl)-
Basic information
- CAS
100476-50-4- Standard SMILES
S=c1[nH]nc(COc2ccc(-c3nc4ccccc4o3)cc2)o1- InChIKey
GYBBMXSOLNGVNU-UHFFFAOYSA-N- Molecular formula
- C16H11N3O3S
- Average molar mass
- 325.3 g/mol
- Monoisotopic mass
- 325.05211239
Names & identifiers
- Preferred name
- 1,3,4-Oxadiazole-2(3H)-thione, 5-((4-(2-benzoxazolyl)phenoxy)methyl)-
- IUPAC
- 5-[[4-(1,3-benzoxazol-2-yl)phenoxy]methyl]-3H-1,3,4-oxadiazole-2-thione
Names & synonyms
BRN 59903481,3,4-OXADIAZOLE-2(3H)-THIONE, 5-((4-(2-BENZOXAZOLYL)PHENOXY)METHYL)-100476-50-42-((p-(2-Benzoxazolyl)phenoxy)methyl)-5-mercaptooxadiazoleDTXSID801433085-((4-(2-Benzoxazolyl)phenoxy)methyl)-1,3,4-oxadiazole-2(3H)-thioneRefChem:216950DTXCID80657995-{[4-(1,3-Benzoxazol-2-yl)phenoxy]methyl}-1,3,4-oxadiazole-2(3H)-thione
Database identifiers
- CAS
100476-50-4- PubChem CID
- 3033780
- DTXSID
DTXSID80143308
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 479
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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