4-(3-Phenyl-1,2,4-oxadiazol-5-yl)aniline
Basic information
- CAS
54494-12-1- Standard SMILES
Nc1ccc(-c2nc(-c3ccccc3)no2)cc1- InChIKey
GUPGUFMJVVCPCZ-UHFFFAOYSA-N- Molecular formula
- C14H11N3O
- Average molar mass
- 237.26 g/mol
Names & identifiers
- Preferred name
- 4-(3-Phenyl-1,2,4-oxadiazol-5-yl)aniline
- IUPAC
- 4-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline
- English name
- 4-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline
- Molecular formula
- C14H11N3O
- Molecular weight
- 237.26
Names & synonyms
4-(3-Phenyl-1,2,4-oxadiazol-5-yl)aniline54494-12-1MFCD004454434-(3-phenyl-1,2,4-oxadiazol-5-yl)phenylamineBenzenamine, 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-SCHEMBL16592554GUPGUFMJVVCPCZ-UHFFFAOYSA-NSBB076530AKOS004121153DB-315749ST452374424-(3-Phenyl-1,2,4-oxadiazol-5-yl)aniline #
Show more names
UKRORGSYN-BB BBR-0272774-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline(SALTDATA: FREE)
F315762
Database identifiers
- CAS
54494-12-1- Nikkaji
- J529.948I
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 260
Experimental & physicochemical properties
LogP3.48
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
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Compound notes
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