Basic information
- CAS
67829-21-4- Standard SMILES
c1ccc(Nc2nnc(-c3ccc4c(c3)OCO4)o2)cc1- InChIKey
UQRGDXNZCZWZES-UHFFFAOYSA-N- Molecular formula
- C15H11N3O3
- Average molar mass
- 281.27 g/mol
- Monoisotopic mass
- 281.08004122
Names & identifiers
- Preferred name
- 1,3,4-Oxadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)-N-phenyl-
- IUPAC
- 5-(1,3-benzodioxol-5-yl)-N-phenyl-1,3,4-oxadiazol-2-amine
Names & synonyms
67829-21-41,3,4-Oxadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)-N-phenyl-DTXSID50218072RefChem:1052502DTXCID701405635-(1,3-Benzodioxol-5-yl)-N-phenyl-1,3,4-oxadiazol-2-amineMLS003170675SMR001874598BRN 1011237NSC326181cid_100596SCHEMBL2681715
Show more names
CHEMBL2362612BDBM97355NSC 326181NSC-326181DS-005563SR-01000927835SR-01000927835-2[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-phenyl-amine
Database identifiers
- CAS
67829-21-4- PubChem CID
- 100596
- DTXSID
DTXSID50218072- ChEMBL
CHEMBL2362612
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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