N-Cyclopropylmethyl-6-[3-(3-fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-nicotinamide

HCID 57520176
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Basic information

Standard SMILES
Cc1onc(-c2cccc(F)c2)c1COc1ccc(C(=O)NCC2CC2)cn1
InChIKey
YMNBLKSITVXHKH-UHFFFAOYSA-N
Molecular formula
C21H20FN3O3
Average molar mass
381.4 g/mol
Monoisotopic mass
381.14886967

Names & identifiers

Preferred name
N-Cyclopropylmethyl-6-[3-(3-fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-nicotinamide
IUPAC
N-(cyclopropylmethyl)-6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide

Names & synonyms

SCHEMBL2924038CHEMBL3676539YMNBLKSITVXHKH-UHFFFAOYSA-NBDBM133405US8846719, 90N-Cyclopropylmethyl-6-[3-(3-fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-nicotinamide

Database identifiers

PubChem CID
57520176
ChEMBL
CHEMBL3676539

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
77.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
28

Related reactions

6 records
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Compound notes

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