2-(1H-Benzoimidazol-5-yl)-benzooxazol-5-ylamine
Basic information
- CAS
436086-85-0- Standard SMILES
Nc1ccc2oc(-c3ccc4nc[nH]c4c3)nc2c1- InChIKey
ZGDMZBQVYDRREE-UHFFFAOYSA-N- Molecular formula
- C14H10N4O
- Average molar mass
- 250.25 g/mol
- Monoisotopic mass
- 250.08546096
Names & identifiers
- Preferred name
- 2-(1H-Benzoimidazol-5-yl)-benzooxazol-5-ylamine
- IUPAC
- 2-(3H-benzimidazol-5-yl)-1,3-benzoxazol-5-amine
- English name
- 2-(1H-Benzoimidazol-5-yl)-benzooxazol-5-ylamine
- Molecular formula
- C14H10N4O
- Molecular weight
- 250.26
Names & synonyms
436086-85-02-(1H-Benzoimidazol-5-yl)-benzooxazol-5-ylamine2-(1H-Benzo[d]imidazol-5-yl)benzo[d]oxazol-5-amine2-(3H-benzimidazol-5-yl)-1,3-benzoxazol-5-amineMLS000121646SMR000119068HMS2372C16BAS 034226865-Benzoxazolamine,2-(1H-benzimidazol-6-yl)-cid_784160CHEMBL1545965BDBM48204
Show more names
5-Benzoxazolamine, 2-(1H-benzimidazol-6-yl)-
DTXSID80354831LSA08685AKOS0003009462-benzimidazol-5-ylbenzoxazole-5-ylamineST50017371SR-01000318677SR-01000318677-12-(1H-benzo[d]imidazol-6-yl)benzo[d]oxazol-5-amine
Database identifiers
- CAS
436086-85-0- PubChem CID
- 784160
- DTXSID
DTXSID80354831- ChEMBL
CHEMBL1545965
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Boiling point
- 575.5 · 575.5±25.0 °C(Predicted)
- Density
- 1.448 · 1.448±0.06 g/cm3(Predicted)
- pka
- 11.08 · 11.08±0.30(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
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Compound notes
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