CC1=C(C(=NO1)C2=CC=CC=C2)COC3=NC=C(C=C3)Br
CAS: 1159599-00-4
Name: 4-[(5-bromo-2-pyridinyl)oxymethyl]-5-methyl-3-phenyl-1,2-oxazole
SMILES: CC1=C(C(=NO1)C2=CC=CC=C2)COC3=NC=C(C=C3)Br

Molecular Processing

Molecular formula
C16H13BrN2O2
Molecular weight
345.2
Exact mass
344.016
XLogP
4.39
TPSA
48.15
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
82.95

Supplementary Information

InChIKey: PIRCSLOVSHDWOO-UHFFFAOYSA-N
Synonyme
SCHEMBL2929537CHEMBL3676455PIRCSLOVSHDWOO-UHFFFAOYSA-NBDBM133320DB-427424US8846719, 35-Bromo-2-(5-methyl-3-phenyl-isoxazol-4-ylmethoxy)-pyridine5-bromo-2-[(5-methyl-3-phenyl-4-isoxazolyl)methoxy]Pyridine1159599-00-4
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