Nombre: 2-hydroxy-2-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetic acid

SMILES: O=C(O)C(O)c1ccc(-c2noc(-c3noc(-c4ccccc4)c3C(F)(F)F)n2)cc1

Molecular Processing

Molecular formula

C20H12F3N3O5

Molecular weight

431.33

Exact mass

431.0729

XLogP

4.2

TPSA

122.48

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.1

Molar refractivity

98.26

Supplementary Information

InChIKey: DIPMWVYYBVWTGL-UHFFFAOYSA-N

Sinónimos

(R/S)-2-hydroxy-2-(4-(5-(5-phenyl-4-(trifluoromethyl)isoxazol-3-yl)-1,2,4-oxadiazol-3-yl)phenyl)acetic acidSCHEMBL2575381