2-(Isobutylamino)benzoxazole
Basic information
- CAS
28291-83-0- Standard SMILES
CC(C)CNc1nc2ccccc2o1- InChIKey
PHLFWHZVWXINAD-UHFFFAOYSA-N- Molecular formula
- C11H14N2O
- Average molar mass
- 190.24 g/mol
- Monoisotopic mass
- 190.11061307
Names & identifiers
- Preferred name
- 2-(Isobutylamino)benzoxazole
- IUPAC
- N-(2-methylpropyl)-1,3-benzoxazol-2-amine
- English name
- N-Isobutyl-2-benzoxazolamine
- Molecular formula
- C11H14N2O
- Molecular weight
- 190.24
Names & synonyms
2-(ISOBUTYLAMINO)BENZOXAZOLE28291-83-0N-(2-methylpropyl)-1,3-benzoxazol-2-amineBenzoxazole, 2-(isobutylamino)-SCHEMBL3948639DTXSID30182540PHLFWHZVWXINAD-UHFFFAOYSA-NAKOS009146845N-Isobutyl-1,3-benzoxazol-2-amine #N-Isobutyl-2-benzoxazolamine2-Benzoxazolamine, N-(2-methylpropyl)-
Database identifiers
- CAS
28291-83-0- PubChem CID
- 34202
- DTXSID
DTXSID30182540- Nikkaji
- J103.865F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 184
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Compound notes
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