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2-(3-Difluoromethoxypyridin-4-yl)-5-(trifluoromethyl)benzoxazole

HCID 66880475
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
FC(F)Oc1cnccc1-c1nc2cc(C(F)(F)F)ccc2o1
InChIKey
MJNRKKNYPXQVFF-UHFFFAOYSA-N
Molecular formula
C14H7F5N2O2
Average molar mass
330.21 g/mol
Monoisotopic mass
330.04276828

Names & identifiers

Preferred name
2-(3-Difluoromethoxypyridin-4-yl)-5-(trifluoromethyl)benzoxazole
IUPAC
2-[3-(difluoromethoxy)-4-pyridinyl]-5-(trifluoromethyl)-1,3-benzoxazole

Names & synonyms

2-(3-difluoromethoxypyridin-4-yl)-5-(trifluoromethyl)benzoxazoleSCHEMBL1025664

Database identifiers

PubChem CID
66880475

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
48.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
3
Heavy atoms
23
Formal charge
0
Complexity
409

Related reactions

5 records
New reaction record
HRID 88678 reaction equation
HRID 88678As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 884912 reaction equation
HRID 884912As productuspto-grants-2012_08
HRID 1913673 reaction equation
HRID 1913673As productuspto-grants-2013_12
HRID 2094428 reaction equation
HRID 2094428As productuspto-grants-2013_05
HRID 2190787 reaction equation
HRID 2190787As productuspto-grants-2012_12

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes