Methyl-3-[(1,3-benzoxazol-2-yl)amino]-2-methylpropionate

HCID 67445136
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Basic information

Standard SMILES
COC(=O)C(C)CNc1nc2ccccc2o1
InChIKey
APUFIINKKUSIBU-UHFFFAOYSA-N
Molecular formula
C12H14N2O3
Average molar mass
234.25 g/mol

Names & identifiers

Preferred name
Methyl-3-[(1,3-benzoxazol-2-yl)amino]-2-methylpropionate
IUPAC
methyl 3-(1,3-benzoxazol-2-ylamino)-2-methylpropanoate

Names & synonyms

SCHEMBL2541597APUFIINKKUSIBU-UHFFFAOYSA-NMethyl-3-[(1,3-benzoxazol-2-yl)amino]-2-methylpropionate

Database identifiers

PubChem CID
67445136

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
64.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
17

Related reactions

1 records
New reaction record

Linked notes

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