Basic information
- CAS
293738-21-3- Standard SMILES
CC(C)(C)c1ccc(-c2nc3cc(N)ccc3o2)cc1- InChIKey
MTHCGFDWRVNWAL-UHFFFAOYSA-N- Molecular formula
- C17H18N2O
- Average molar mass
- 266.34 g/mol
- Monoisotopic mass
- 266.1419132
Names & identifiers
- Preferred name
- 2-(4-Tert-butylphenyl)-1,3-benzoxazol-5-amine
- IUPAC
- 2-(4-tert-butylphenyl)-1,3-benzoxazol-5-amine
- English name
- 2-(4-tert-Butyl-phenyl)-benzooxazol-5-ylamine
- Molecular formula
- C17H18N2O
- Molecular weight
- 266.34
Names & synonyms
293738-21-32-(4-tert-butylphenyl)-1,3-benzoxazol-5-amine2-(4-tert-Butylphenyl)benzooxazol-5-ylamine2-(4-(tert-butyl)phenyl)benzo[d]oxazol-5-amine2-(4-tert-Butyl-phenyl)-benzooxazol-5-ylamineMFCD004227852-[4-(tert-butyl)phenyl]benzoxazole-5-ylamine5-Benzoxazolamine, 2-[4-(1,1-dimethylethyl)phenyl]-Cambridge id 5249951Oprea1_292382Oprea1_402909CBDivE_013056
Show more names
SBB001034ZINC00125067SMR000513257BAS 00272852AKOS BB-8041ASISCHEM T31064
MLS001203411SCHEMBL5376393CHEMBL1341926DTXSID30352261MTHCGFDWRVNWAL-UHFFFAOYSA-NHMS2817B09ALBB-026749BBL000212
Database identifiers
- CAS
293738-21-3- PubChem CID
- 721881
- DTXSID
DTXSID30352261- ChEMBL
CHEMBL1341926
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Boiling point
- 397.3 · 397.3±25.0 °C(Predicted)
- Density
- 1.139 · 1.139±0.06 g/cm3(Predicted)
- pka
- 7.01 · 7.01±0.10(Predicted)
Chemistry & industry
Suppliers3 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
1 records
Compound notes
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