CC1=C(C(=NO1)C2=CC(=CC=C2)Cl)COC3=NC=C(C=C3)C(=O)O
Name: 6-[[3-(3-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid
SMILES: CC1=C(C(=NO1)C2=CC(=CC=C2)Cl)COC3=NC=C(C=C3)C(=O)O

Molecular Processing

Molecular formula
C17H13ClN2O4
Molecular weight
344.75
Exact mass
344.0564
XLogP
3.98
TPSA
85.45
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
87.21

Supplementary Information

InChIKey: NPKISILOCKEOTB-UHFFFAOYSA-N
Synonyme
SCHEMBL2929670NPKISILOCKEOTB-UHFFFAOYSA-N6-[3-(3-chloro-phenyl)-5-methyl- isoxazol-4-ylmethoxy]-nicotinic acid6-[3-(3-Chloro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-nicotinic acid
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