5-(3-(6-Benzyloxy-pyridin-3-ylmethyl)-isoxazol-5-yl)-pyridin-2-ylamine

HCID 59255166
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Basic information

Standard SMILES
Nc1ccc(-c2cc(Cc3ccc(OCc4ccccc4)nc3)no2)cn1
InChIKey
MWPUBDDKAODUGO-UHFFFAOYSA-N
Molecular formula
C21H18N4O2
Average molar mass
358.4 g/mol

Names & identifiers

Preferred name
5-(3-(6-Benzyloxy-pyridin-3-ylmethyl)-isoxazol-5-yl)-pyridin-2-ylamine
IUPAC
5-[3-[(6-phenylmethoxy-3-pyridinyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine

Names & synonyms

SCHEMBL510362MWPUBDDKAODUGO-UHFFFAOYSA-N5-(3-(6-Benzyloxy-pyridin-3-ylmethyl)-isoxazol-5-yl)-pyridin-2-ylamine

Database identifiers

PubChem CID
59255166

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
87.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
27

Related reactions

5 records
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Compound notes

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